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Catechin 4'-O-beta-D-glucopyranoside

PropertiesImage
MNX_IDMNXM45810 Image of MNXM45810
referencelipidmapsM:LMPK12020064
formulaC21H24O11
global charge0
mol weight452.412
InChIKeyLTDLFQZRSXJVAN-FBEISHDNSA-N
InChIInChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16+,17+,18-,19+,20+,21+/m0/s1
SMILESOC[C@H]1O[C@@H](OC2=C(O)C=C([C@H]3OC4=C(C[C@@H]3O)C(O)=CC(O)=C4)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16+,17+,18-,19+,20+,21+/m0/s1 Image of MNXM45810
SMILES (mnx)[CH:1]1=[CH:2][C:14]([O:31][C@H:21]2[C@H:19]([OH:29])[C@@H:18]([OH:28])[C@H:17]([OH:27])[C@@H:16]([CH2:7][OH:22])[O:32]2)=[C:12]([OH:25])[CH:3]=[C:8]1[C@@H:20]1[C@@H:13]([OH:26])[CH2:6][C:10]2=[C:11]([OH:24])[CH:4]=[C:9]([OH:23])[CH:5]=[C:15]2[O:30]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:LMPK12020064
lipidmapsM:LMPK12020064
LTDLFQZRSXJVAN-FBEISHDNSA-N 		Catechin 4'-O-beta-D-glucopyranoside
2-Hydroxy-4-[(2R)-3beta,5,7-trihydroxychroman-2alpha-yl]phenyl alpha-D-glucopyranoside

CHEBI:192963
chebi:192963
LTDLFQZRSXJVAN-NNPRWLJOSA-N 		Catechin 4'-O-beta-D-glucopyranoside
(2R,3S)-2-[3-hydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol