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8-C-Glucopyranosylepicatechin

PropertiesImage
MNX_IDMNXM39283 Image of MNXM39283
referencelipidmapsM:LMPK12020040
formulaC21H24O11
global charge0
mol weight452.412
InChIKeyXWDHVYPMZCGHNM-SBNMIOBJSA-N
InChIInChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16-,17+,18-,19-,21+/m1/s1
SMILESOC[C@H]1O[C@@H](C2=C(O)C=C(O)C3=C2O[C@H](C2=CC(O)=C(O)C=C2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16-,17+,18-,19-,21+/m1/s1 Image of MNXM39283
SMILES (mnx)[CH:1]1=[CH:2][C:9]([OH:23])=[C:11]([OH:25])[CH:3]=[C:7]1[C@@H:19]1[C@H:13]([OH:27])[CH2:4][C:8]2=[C:20]([C:15]([C@H:21]3[C@H:18]([OH:30])[C@@H:17]([OH:29])[C@H:16]([OH:28])[C@@H:14]([CH2:6][OH:22])[O:31]3)=[C:12]([OH:26])[CH:5]=[C:10]2[OH:24])[O:32]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

lipidmaps:LMPK12020040
lipidmapsM:LMPK12020040
XWDHVYPMZCGHNM-SBNMIOBJSA-N 		8-C-Glucopyranosylepicatechin
(2R,3R)-3,5,7,3',4'-Pentahydroxyflavan 8-C-glucopyranoside
hmdb:HMDB0037401
XWDHVYPMZCGHNM-BESDQCQNSA-N 		(-)-Epicatechin 8-C-glucoside
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
8-C-Glucopyranosylepicatechin
8-C-glucopyranosylepicatechin
8-Glucopyranosyl-(-)-epicatechin
8-Glucosyl-(-)-epicatechin

CHEBI:191979
chebi:191979
XWDHVYPMZCGHNM-BESDQCQNSA-N 		(-)-Epicatechin 8-C-glucoside
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

CHEBI:181687
chebi:181687
XWDHVYPMZCGHNM-HZICDIAPSA-N 		Epicatechin 8-C-beta-D-glucopyranoside
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

hmdb:HMDB37401 		secondary/obsolete/fantasy identifier