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3,3'-Di-O-galloylprocyanidin B5

Properties

Image

Occurences in reactions

MNX_ID

MNXM117196

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₄H₃₄O₂₀

charge

mass

882.16434

reference

hmdb:HMDB0039299

InChIKey

LFBGVECYPPCVDS-QNPRKUGLSA-N

InChI

InChI=1S/C44H34O20/c45-19-11-25(50)34-32(12-19)62-41(16-2-4-22(47)24(49)6-16)42(64-44(60)18-9-29(54)39(58)30(55)10-18)36(34)35-26(51)14-31-20(37(35)56)13-33(40(61-31)15-1-3-21(46)23(48)5-15)63-43(59)17-7-27(52)38(57)28(53)8-17/h1-12,14,33,36,40-42,45-58H,13H2/t33-,36-,40-,41-,42-/m1/s1

SMILES

O=C(O[C@@H]1Cc2c(cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2O)O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0039299	3,3'-Di-O-galloylprocyanidin B5 (2R,3R)-2-(3,4-Dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 3-O-Galloylepicatechin-(4beta->6)-epicatechin-3-O-gallate Procyanidin b-5 3,3'-di-O-gallate Procyanidin b5 3,3'-di-O-gallate
hmdb:HMDB39299	secondary/obsolete/fantasy identifier