epigallocatechin-(4beta-&gt;8)-epigallocatechin-3-O-gallate (Q27136632)

CHEBI:68142 (English)

[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₇H₃₀O₁₈

1 reference

CHEBI:68142 (English)

7 October 2016

canonical SMILES

C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O

1 reference

CHEBI:68142 (English)

7 October 2016

isomeric SMILES

C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O

1 reference

CHEBI:68142 (English)

7 October 2016

found in taxon

Parapiptadenia rigida

2 references

Structural and conformational analysis of proanthocyanidins from Parapiptadenia rigida and their wound-healing properties

Structural and conformational analysis of proanthocyanidins from Parapiptadenia rigida and their wound-healing properties

Limonium gmelini

1 reference

Dimeric prodelphinidins from Limonium gmelinii roots. III.

Morella rubra

2 references

Myricatin, a galloyl flavanonol sulfate and prodelphinidin gallates from Myrica rubra

Characterization of unusual proanthocyanidins in leaves of bayberry ( Myrica rubra Sieb. et Zucc.).

Myrica rubra

2 references

Myricatin, a galloyl flavanonol sulfate and prodelphinidin gallates from Myrica rubra

Characterization of unusual proanthocyanidins in leaves of bayberry ( Myrica rubra Sieb. et Zucc.).

Phyllanthus emblica

1 reference

Phyllanemblinins A-F, new ellagitannins from Phyllanthus emblica

Rhododendron

1 reference

Identification and characterization of proanthocyanidins of 16 members of the Rhododendron genus (Ericaceae) by tandem LC-MS.

Identifiers

InChI

InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1

1 reference

CHEBI:68142 (English)

JSBXKZFDEDBAQA-WUFIRYPCSA-N

7 October 2016

InChIKey

2 references

CHEBI:68142 (English)

7 October 2016

ChEBI release 2020-09-01

CAS Registry Number

86588-88-7

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

(2R,2'R,3R,3'R,4R)-3,5,5',7,7'-Pentahydroxy-2,2'-bis(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromen-3'-yl 3,4,5-trihydroxybenzoate (English)

7 October 2016

2 references