MiMeDB: Showing metabocard for Leucocyanidin (MMDBc0033665)

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:58:05 UTC

Update Date

2024-09-27 20:59:19 UTC

Metabolite ID

MMDBc0033665

Metabolite Identification

Common Name

Leucocyanidin

Description

Structure

MOL SDF PDB SMILES InChI


  Mrv1652303082008142D          

 22 24  0  0  1  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 16  1  0  0  0  0
 13 17  1  0  0  0  0
 11 18  1  0  0  0  0
  9 19  1  1  0  0  0
  8 20  1  1  0  0  0
  4 21  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033665

> <DATABASE_NAME>
MIME

> <SMILES>
O[C@H]1[C@@H](O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15+/m0/s1

> <INCHI_KEY>
SBZWTSHAFILOTE-SOUVJXGZSA-N

> <FORMULA>
C15H14O7

> <MOLECULAR_WEIGHT>
306.2675

> <EXACT_MASS>
306.073952802

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
29.36523193147382

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol

> <ALOGPS_LOGP>
0.44

> <JCHEM_LOGP>
0.8761108683333332

> <ALOGPS_LOGS>
-2.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.54750159896668

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.950550452291846

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6966922314631683

> <JCHEM_POLAR_SURFACE_AREA>
130.61

> <JCHEM_REFRACTIVITY>
75.20720000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
procyanidol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-MAR-20         0                                  
HETATM    1  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5   21                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8   16                                                  
CONECT    8    7    9   20                                                  
CONECT    9    8   10   19                                                  
CONECT   10    9   11   15                                                  
CONECT   11   10   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15    7                                                       
CONECT   17   13                                                            
CONECT   18   11                                                            
CONECT   19    9                                                            
CONECT   20    8                                                            
CONECT   21    4                                                            
CONECT   22    3                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

Synonyms

Value	Source
2,3-trans-3,4-cis-Leucocyanidin	ChEBI
2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol	ChEBI
3,3',4,4',5,7-Flavanhexol	ChEBI
3,4-Cyanidiol	ChEBI
Leucoanthocyanidol	ChEBI
Leucocianidol	ChEBI
Leucocyanidol	ChEBI
Leukocyanidine	ChEBI
Procyanidol	ChEBI
Resivit	ChEBI
Flavan	Kegg

Molecular Formula

C₁₅H₁₄O₇

Average Mass

306.2675

Monoisotopic Mass

306.073952802

IUPAC Name

(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol

Traditional Name

procyanidol

CAS Registry Number

480-17-1

SMILES

O[C@H]1[C@@H](O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15+/m0/s1

InChI Key

SBZWTSHAFILOTE-SOUVJXGZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Catechins

Alternative Parents

Substituents

Catechin
Leucoanthocyanidin-skeleton
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
4-hydroxyflavonoid
5-hydroxyflavonoid
Chromane
Benzopyran
1-benzopyran
Catechol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
1,2-diol
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

leucocyanidin (CHEBI:11412 )
Flavans, Flavanols and Leucoanthocyanidins (C05906 )
Flavan 3,4-diols (C05906 )
Flavans, Flavanols and Leucoanthocyanidins (LMPK12020203 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	2.22 g/L	ALOGPS
logP	0.44	ALOGPS
logP	0.88	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	8.95	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	130.61 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	75.21 m³·mol⁻¹	ChemAxon
Polarizability	29.37 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 10V, Negative	splash10-004r-0791000000-10ab351997f48e512657	2017-08-03	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 10V, Negative	splash10-0udi-0009000000-003cf3d9205115931541	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 30V, Negative	splash10-0fb9-0900000000-6485766e32e558575478	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 20V, Negative	splash10-0fb9-0930000000-f55130580bbd8b0b45e4	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 10V, Negative	splash10-004r-0791000000-10ab351997f48e512657	2017-08-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-0229000000-7b12cfd90f26ce654a82	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4r-0931000000-86ef21dc0c7f73f0a208	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052r-2900000000-21b061fd42eb9d16646c	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0309000000-88b0e7c6fd6279325ca3	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0pbi-0933000000-f4c60b32f791e72758fe	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a6r-3910000000-468d3b91f46d02a3398b	2016-09-12	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	169.8
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	138.2
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	153.0
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	286.4
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	333.0
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	212.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	924.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	635.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	357.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	130.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	440.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	140.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	76.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-24	321.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	549.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	52.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	192.2
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	952.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	583.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Leucocyanidin_TMS_1	C[Si](C)(C)O[C@H]1[C@@H](O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	standard non polar	2025-10-24	2162.64
Gas Chromatography	Leucocyanidin_TMS_2	C[Si](C)(C)O[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	standard non polar	2025-10-24	2682.33
Gas Chromatography	Leucocyanidin_TMS_3	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard non polar	2025-10-24	1515.23
Gas Chromatography	Leucocyanidin_TMS_4	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2O	standard non polar	2025-10-24	1917.95
Gas Chromatography	Leucocyanidin_TMS_5	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O)=CC=C1O	standard non polar	2025-10-24	1814.78
Gas Chromatography	Leucocyanidin_TMS_6	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O)C=C1O	standard non polar	2025-10-24	2302.84
Gas Chromatography	Leucocyanidin_TMS_7	C[Si](C)(C)O[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2090.37
Gas Chromatography	Leucocyanidin_TMS_8	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard non polar	2025-10-24	1446.21
Gas Chromatography	Leucocyanidin_TMS_9	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O	standard non polar	2025-10-24	2638.87
Gas Chromatography	Leucocyanidin_TMS_10	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)C=C1O	standard non polar	2025-10-24	2550.42
Gas Chromatography	Leucocyanidin_TMS_11	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)=CC=C1O	standard non polar	2025-10-24	2326.58
Gas Chromatography	Leucocyanidin_TMS_12	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard non polar	2025-10-24	1376.41
Gas Chromatography	Leucocyanidin_TMS_13	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2O[Si](C)(C)C	standard non polar	2025-10-24	1529.04
Gas Chromatography	Leucocyanidin_TMS_14	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)C=C1O	standard non polar	2025-10-24	2130.15
Gas Chromatography	Leucocyanidin_TMS_15	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)=CC=C1O	standard non polar	2025-10-24	2234.27
Gas Chromatography	Leucocyanidin_TMS_16	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard non polar	2025-10-24	2345.86
Gas Chromatography	Leucocyanidin_TMS_17	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O)C=C1O	standard non polar	2025-10-24	1200.45
Gas Chromatography	Leucocyanidin_TMS_18	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O)=CC=C1O	standard non polar	2025-10-24	2564.83
Gas Chromatography	Leucocyanidin_TMS_19	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2O	standard non polar	2025-10-24	2191.59
Gas Chromatography	Leucocyanidin_TMS_20	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2O	standard non polar	2025-10-24	1157.11
Gas Chromatography	Leucocyanidin_TMS_21	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1372.24
Gas Chromatography	Leucocyanidin_TMS_22	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard non polar	2025-10-24	2192.3
Gas Chromatography	Leucocyanidin_TMS_23	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C	standard non polar	2025-10-24	1902.09
Gas Chromatography	Leucocyanidin_TMS_24	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	standard non polar	2025-10-24	3070.67
Gas Chromatography	Leucocyanidin_TMS_25	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	standard non polar	2025-10-24	1766.53
Gas Chromatography	Leucocyanidin_TMS_26	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard non polar	2025-10-24	1971.97
Gas Chromatography	Leucocyanidin_TMS_27	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)C=C1O	standard non polar	2025-10-24	2730.35
Gas Chromatography	Leucocyanidin_TMS_28	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)=CC=C1O	standard non polar	2025-10-24	1412.37
Gas Chromatography	Leucocyanidin_TMS_29	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O	standard non polar	2025-10-24	2279.1
Gas Chromatography	Leucocyanidin_TMS_30	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O	standard non polar	2025-10-24	2245.94
Gas Chromatography	Leucocyanidin_TMS_31	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	2064.52
Gas Chromatography	Leucocyanidin_TMS_32	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard non polar	2025-10-24	2170.86
Gas Chromatography	Leucocyanidin_TMS_33	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)C=C1O	standard non polar	2025-10-24	2087.85
Gas Chromatography	Leucocyanidin_TMS_34	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)=CC=C1O	standard non polar	2025-10-24	2631.37
Gas Chromatography	Leucocyanidin_TMS_35	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2O[Si](C)(C)C	standard non polar	2025-10-24	1795.93
Gas Chromatography	Leucocyanidin_TMS_36	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2O[Si](C)(C)C	standard non polar	2025-10-24	1998.25
Gas Chromatography	Leucocyanidin_TMS_37	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	2071.07
Gas Chromatography	Leucocyanidin_TMS_38	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	standard non polar	2025-10-24	2169.29
Gas Chromatography	Leucocyanidin_TMS_39	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	942.078
Gas Chromatography	Leucocyanidin_TMS_40	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	2711.27
Gas Chromatography	Leucocyanidin_TMS_41	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2O	standard non polar	2025-10-24	1181.88
Gas Chromatography	Leucocyanidin_TMS_42	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard non polar	2025-10-24	2170.35
Gas Chromatography	Leucocyanidin_TMS_43	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	standard non polar	2025-10-24	2812.55
Gas Chromatography	Leucocyanidin_TMS_44	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	standard non polar	2025-10-24	2121.75
Gas Chromatography	Leucocyanidin_TMS_45	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C	standard non polar	2025-10-24	1386.09
Gas Chromatography	Leucocyanidin_TMS_46	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C	standard non polar	2025-10-24	2293.53
Gas Chromatography	Leucocyanidin_TMS_47	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1612.59
Gas Chromatography	Leucocyanidin_TMS_48	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	standard non polar	2025-10-24	1330.67
Gas Chromatography	Leucocyanidin_TMS_49	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	2522.09
Gas Chromatography	Leucocyanidin_TMS_50	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1304.9
Gas Chromatography	Leucocyanidin_TMS_51	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O	standard non polar	2025-10-24	609.306
Gas Chromatography	Leucocyanidin_TMS_52	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	standard non polar	2025-10-24	1203.04
Gas Chromatography	Leucocyanidin_TMS_53	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	2417.11
Gas Chromatography	Leucocyanidin_TMS_54	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	2036.27
Gas Chromatography	Leucocyanidin_TMS_55	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2O[Si](C)(C)C	standard non polar	2025-10-24	2273.55
Gas Chromatography	Leucocyanidin_TMS_56	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	2924.81
Gas Chromatography	Leucocyanidin_TMS_57	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	standard non polar	2025-10-24	1013.44
Gas Chromatography	Leucocyanidin_TMS_58	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	1880.82
Gas Chromatography	Leucocyanidin_TMS_59	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1283.95
Gas Chromatography	Leucocyanidin_TMS_60	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C	standard non polar	2025-10-24	2672.87
Gas Chromatography	Leucocyanidin_TMS_61	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	2091.61
Gas Chromatography	Leucocyanidin_TMS_62	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	1437.93
Gas Chromatography	Leucocyanidin_TMS_63	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard non polar	2025-10-24	1795.61
Gas Chromatography	Leucocyanidin_TMS_1	C[Si](C)(C)O[C@H]1[C@@H](O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	standard polar	2025-10-24	1475.83
Gas Chromatography	Leucocyanidin_TMS_2	C[Si](C)(C)O[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	standard polar	2025-10-24	2445.79
Gas Chromatography	Leucocyanidin_TMS_3	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard polar	2025-10-24	1254.59
Gas Chromatography	Leucocyanidin_TMS_4	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2O	standard polar	2025-10-24	2063.97
Gas Chromatography	Leucocyanidin_TMS_5	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O)=CC=C1O	standard polar	2025-10-24	1898.92
Gas Chromatography	Leucocyanidin_TMS_6	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O)C=C1O	standard polar	2025-10-24	1907.28
Gas Chromatography	Leucocyanidin_TMS_7	C[Si](C)(C)O[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2439.13
Gas Chromatography	Leucocyanidin_TMS_8	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard polar	2025-10-24	2025.77
Gas Chromatography	Leucocyanidin_TMS_9	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O	standard polar	2025-10-24	1378.71
Gas Chromatography	Leucocyanidin_TMS_10	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)C=C1O	standard polar	2025-10-24	1955.41
Gas Chromatography	Leucocyanidin_TMS_11	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)=CC=C1O	standard polar	2025-10-24	1873.46
Gas Chromatography	Leucocyanidin_TMS_12	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard polar	2025-10-24	1635.44
Gas Chromatography	Leucocyanidin_TMS_13	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2O[Si](C)(C)C	standard polar	2025-10-24	2267.78
Gas Chromatography	Leucocyanidin_TMS_14	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)C=C1O	standard polar	2025-10-24	1541.98
Gas Chromatography	Leucocyanidin_TMS_15	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)=CC=C1O	standard polar	2025-10-24	2533.24
Gas Chromatography	Leucocyanidin_TMS_16	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard polar	2025-10-24	2160.51
Gas Chromatography	Leucocyanidin_TMS_17	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O)C=C1O	standard polar	2025-10-24	2190.51
Gas Chromatography	Leucocyanidin_TMS_18	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O)=CC=C1O	standard polar	2025-10-24	1703.14
Gas Chromatography	Leucocyanidin_TMS_19	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2O	standard polar	2025-10-24	1904.39
Gas Chromatography	Leucocyanidin_TMS_20	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2O	standard polar	2025-10-24	1725.53
Gas Chromatography	Leucocyanidin_TMS_21	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O)C=C1O[Si](C)(C)C	standard polar	2025-10-24	1964.01
Gas Chromatography	Leucocyanidin_TMS_22	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard polar	2025-10-24	2807.22
Gas Chromatography	Leucocyanidin_TMS_23	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C	standard polar	2025-10-24	2220.15
Gas Chromatography	Leucocyanidin_TMS_24	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	standard polar	2025-10-24	1560.2
Gas Chromatography	Leucocyanidin_TMS_25	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	standard polar	2025-10-24	2445.5
Gas Chromatography	Leucocyanidin_TMS_26	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard polar	2025-10-24	1881.28
Gas Chromatography	Leucocyanidin_TMS_27	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)C=C1O	standard polar	2025-10-24	1943.0
Gas Chromatography	Leucocyanidin_TMS_28	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)=CC=C1O	standard polar	2025-10-24	2184.0
Gas Chromatography	Leucocyanidin_TMS_29	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O	standard polar	2025-10-24	2223.32
Gas Chromatography	Leucocyanidin_TMS_30	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O	standard polar	2025-10-24	1761.21
Gas Chromatography	Leucocyanidin_TMS_31	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	standard polar	2025-10-24	1536.54
Gas Chromatography	Leucocyanidin_TMS_32	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard polar	2025-10-24	2644.51
Gas Chromatography	Leucocyanidin_TMS_33	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)C=C1O	standard polar	2025-10-24	3540.15
Gas Chromatography	Leucocyanidin_TMS_34	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)=CC=C1O	standard polar	2025-10-24	3287.96
Gas Chromatography	Leucocyanidin_TMS_35	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2O[Si](C)(C)C	standard polar	2025-10-24	2477.22
Gas Chromatography	Leucocyanidin_TMS_36	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2O[Si](C)(C)C	standard polar	2025-10-24	3674.52
Gas Chromatography	Leucocyanidin_TMS_37	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	standard polar	2025-10-24	1428.12
Gas Chromatography	Leucocyanidin_TMS_38	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	standard polar	2025-10-24	1908.43
Gas Chromatography	Leucocyanidin_TMS_39	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	1874.41
Gas Chromatography	Leucocyanidin_TMS_40	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O)C=C1O[Si](C)(C)C	standard polar	2025-10-24	2668.04
Gas Chromatography	Leucocyanidin_TMS_41	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2O	standard polar	2025-10-24	1574.63
Gas Chromatography	Leucocyanidin_TMS_42	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	standard polar	2025-10-24	1720.14
Gas Chromatography	Leucocyanidin_TMS_43	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	standard polar	2025-10-24	1627.49
Gas Chromatography	Leucocyanidin_TMS_44	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	standard polar	2025-10-24	2445.07
Gas Chromatography	Leucocyanidin_TMS_45	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C	standard polar	2025-10-24	1755.63
Gas Chromatography	Leucocyanidin_TMS_46	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C	standard polar	2025-10-24	2506.86
Gas Chromatography	Leucocyanidin_TMS_47	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	standard polar	2025-10-24	2425.79
Gas Chromatography	Leucocyanidin_TMS_48	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	standard polar	2025-10-24	2575.01
Gas Chromatography	Leucocyanidin_TMS_49	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	563.225
Gas Chromatography	Leucocyanidin_TMS_50	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	standard polar	2025-10-24	2286.01
Gas Chromatography	Leucocyanidin_TMS_51	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O	standard polar	2025-10-24	1550.29
Gas Chromatography	Leucocyanidin_TMS_52	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	standard polar	2025-10-24	2308.09
Gas Chromatography	Leucocyanidin_TMS_53	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	1245.74
Gas Chromatography	Leucocyanidin_TMS_54	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	standard polar	2025-10-24	1788.26
Gas Chromatography	Leucocyanidin_TMS_55	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2O[Si](C)(C)C	standard polar	2025-10-24	1312.51
Gas Chromatography	Leucocyanidin_TMS_56	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	2703.05
Gas Chromatography	Leucocyanidin_TMS_57	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	standard polar	2025-10-24	3497.51
Gas Chromatography	Leucocyanidin_TMS_58	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	2821.39
Gas Chromatography	Leucocyanidin_TMS_59	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	standard polar	2025-10-24	1320.34
Gas Chromatography	Leucocyanidin_TMS_60	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C	standard polar	2025-10-24	2207.61
Gas Chromatography	Leucocyanidin_TMS_61	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	1931.26
Gas Chromatography	Leucocyanidin_TMS_62	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	1517.32
Gas Chromatography	Leucocyanidin_TMS_63	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	standard polar	2025-10-24	1720.14

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00008991

Chemspider ID

Not Available

KEGG Compound ID

C05906

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440833

PDB ID

Not Available

ChEBI ID

11412

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Ramirez-Gaona M, Marcu A, Pon A, Guo AC, Sajed T, Wishart NA, Karu N, Djoumbou Feunang Y, Arndt D, Wishart DS: YMDB 2.0: a significantly expanded version of the yeast metabolome database. Nucleic Acids Res. 2017 Jan 4;45(D1):D440-D445. doi: 10.1093/nar/gkw1058. Epub 2016 Nov 28. [PubMed:27899612 ]

Showing metabocard for Leucocyanidin (MMDBc0033665)

MOL for #<Metabolite:0x00007f9a877a8f40>

3D MOL for #<Metabolite:0x00007f9a877a8f40>

3D SDF for #<Metabolite:0x00007f9a877a8f40>

3D-SDF for #<Metabolite:0x00007f9a877a8f40>

PDB for #<Metabolite:0x00007f9a877a8f40>

3D PDB for #<Metabolite:0x00007f9a877a8f40>

SMILES for #<Metabolite:0x00007f9a877a8f40>

INCHI for #<Metabolite:0x00007f9a877a8f40>

Structure for #<Metabolite:0x00007f9a877a8f40>

3D Structure for #<Metabolite:0x00007f9a877a8f40>