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

PropertiesImage
MNX_IDMNXM151324 Image of MNXM151324
referencechebi:88702
formulaC17H20O11
global charge0
mol weight400.336
InChIKeyVQHXMQYHVVQQFP-CXWHQSFFSA-N
InChIInChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7?,12-,13-,14+,15-,17?/m0/s1
SMILESO=C1CCC(CC2=CC(O)=C(O)C(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C2)O1
MNX internals
InChI (mnx)InChI=1/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7?,12-,13-,14+,15-,17?/m0/s1 Image of MNXM151324
SMILES (mnx)[CH2:1]1[CH2:2][C:10](=[O:19])[O:26][CH:7]1[CH2:3][C:6]1=[CH:4][C:8]([OH:18])=[C:11]([OH:20])[C:9]([O:27][CH:17]2[C@H:14]([OH:23])[C@@H:12]([OH:21])[C@H:13]([OH:22])[C@@H:15]([C:16](=[O:24])[OH:25])[O:28]2)=[CH:5]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:88702
chebi:88702
VQHXMQYHVVQQFP-CXWHQSFFSA-N 		5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
(2S,3S,4S,5R)-6-{2,3-dihydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0059984
VQHXMQYHVVQQFP-CXWHQSFFSA-N 		5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
(2S,3S,4S,5R)-6-{2,3-dihydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylate
(2S,3S,4S,5R)-6-{2,3-dihydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
5-(3',4',5'-Trihydroxyphenyl)-g-valerolactone-3'-O-glucuronide

hmdb:HMDB59984 		secondary/obsolete/fantasy identifier