8)-3,4',5,7-tetrahydroxyflavan'>
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3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan

PropertiesImage
MNX_IDMNXM117185 Image of MNXM117185
referencechebi:178127
formulaC30H26O11
global charge0
mol weight562.527
InChIKeyMTCFYYIJIXJCPF-UHFFFAOYSA-N
InChIInChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2
SMILESOC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(C=C(O)C=C3O)OC(C3=CC(O)=C(O)C=C3)C2O)C=C1
MNX internals
InChI (mnx)InChI=1/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22?,26?,27?,28?,29? Image of MNXM117185
SMILES (mnx)[CH:1]1=[CH:4][C:14]([OH:31])=[CH:5][CH:2]=[C:12]1[CH:28]1[CH:22]([OH:38])[CH2:10][C:16]2=[C:30]([C:25]([CH:26]3[C:24]4=[C:20]([OH:36])[CH:8]=[C:15]([OH:32])[CH:9]=[C:23]4[O:40][CH:29]([C:13]4=[CH:7][C:19]([OH:35])=[C:17]([OH:33])[CH:6]=[CH:3]4)[CH:27]3[OH:39])=[C:21]([OH:37])[CH:11]=[C:18]2[OH:34])[O:41]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:178127
chebi:178127
MTCFYYIJIXJCPF-UHFFFAOYSA-N 		3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan
8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
hmdb:HMDB0037662
MTCFYYIJIXJCPF-UHFFFAOYSA-N 		3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan
8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Catechin-(4alpha->8)-epiafzelechin
[4',8''-Biflavan]-3,3',3'',4',4''',5,5'',7,7''-nonol, 8ci

hmdb:HMDB37662 		secondary/obsolete/fantasy identifier