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5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide

PropertiesImage
MNX_IDMNXM151332 Image of MNXM151332
referencechebi:88695
formulaC17H20O10
global charge0
mol weight384.337
InChIKeyOTBJYBQGMPICIK-GHPVWUPISA-N
InChIInChI=1S/C17H20O10/c18-9-6-7(5-8-2-4-11(19)25-8)1-3-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8?,12-,13-,14+,15-,17+/m1/s1
SMILESO=C1CCC(CC2=CC=C(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)C(O)=C2)O1
MNX internals
InChI (mnx)InChI=1/C17H20O10/c18-9-6-7(5-8-2-4-11(19)25-8)1-3-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8?,12-,13-,14+,15-,17+/m1/s1 Image of MNXM151332
SMILES (mnx)[CH:1]1=[CH:3][C:10]([O:26][C@@H:17]2[C@@H:14]([OH:22])[C@H:12]([OH:20])[C@@H:13]([OH:21])[C@H:15]([C:16](=[O:23])[OH:24])[O:27]2)=[C:9]([OH:18])[CH:6]=[C:7]1[CH2:5][CH:8]1[CH2:2][CH2:4][C:11](=[O:19])[O:25]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:88695
chebi:88695
OTBJYBQGMPICIK-GHPVWUPISA-N 		5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid
hmdb:HMDB0059989
OTBJYBQGMPICIK-GHPVWUPISA-N 		5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid
5-(3',4'-Dihydroxyphenyl)-g-valerolactone-4'-O-glucuronide

hmdb:HMDB59989 		secondary/obsolete/fantasy identifier