procyanidin B3

Chemical Formula:

C₃₀H₂₆O₁₂

Molecular Weight:

578.528 Daltons

Monoisotopic Mass:

578.1424262998 Daltons

SMILES:

C6(C(C2(OC1(=C(C(=CC(=C1CC2O)O)O)C3(C5(=C(C=C(C=C(OC(C3O)C4(C=CC(=C(C=4)O)O))5)O)O)))))=CC(=C(C=6)O)O)

InChI:

1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1

InChIKey:

XFZJEEAOWLFHDH-AVFWISQGSA-N

Synonyms

2,3-trans-proanthocyanidin

Databases

MetaCyc: CPD-7631

MetaboLights: MTBLC75630

HMDB: HMDB33974

ChEBI: 75630

ChemSpider: 129476

PubChem (CID): 146798

Seed: cpd24805

MetaNetX: MNXM78113

KEGG: C10209