OntologieschebiclassesCHEBI:75643   
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procyanidin C1
http://purl.obolibrary.org/obo/CHEBI_75643

A proanthocyanidin consisting of three (-)-epicatechin units joined by two successive (4beta->8)-linkages.

Also appears incdnoslmfoodon
Exact Synonyms
(2R,2'R,2''R,3R,3'R,3''R,4R,4'S)-2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonol
Procyanidin C1
Related Synonyms
Cinnamtannin A1
EC-(4b,8)-EC-(4b,8)-EC
Epicatechin-(4beta->8)-epicatechin-(4beta->8)-epicatechin
Proanthocyanidin C1
Procyanidin trimer C1
Procyanidol C1
[Epicatechin(4b->8)]2-epicatechin
[Epicatechin-(4beta->8)]2-epicatechin
class Information
charge

0

formula

C45H38O18

has_obo_namespace

chebi_ontology

inchikey

MOJZMWJRUKIQGL-XILRTYJMSA-N

inchi

InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1

in_subset

3_STAR

mass

866.77240

monoisotopicmass

866.20581

smiles

O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1

class Relations