MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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luteolin 7-O-beta-D-glucuronide

	Properties	Image
MNX_ID	MNXM2393
reference	chebi:77671
formula	C₂₁H₁₆O₁₂
global charge	-2
mol weight	460.347
InChIKey	VSUOKLTVXQRUSG-ZFORQUDYSA-L
InChI	InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/p-2/t16-,17-,18+,19-,21+/m0/s1
SMILES	O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C([O-])=CC(O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)=C2

MNX internals

InChI (mnx)	InChI=1/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][C:9]([OH:22])=[C:10]([OH:23])[CH:3]=[C:7]1[C:13]1=[CH:6][C:12](=[O:25])[C:15]2=[C:11]([OH:24])[CH:4]=[C:8]([O:31][C@H:21]3[C@H:18]([OH:28])[C@@H:16]([OH:26])[C@H:17]([OH:27])[C@@H:19]([C:20](=[O:29])[OH:30])[O:33]3)[CH:5]=[C:14]2[O:32]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77671 chebi:77671 VSUOKLTVXQRUSG-ZFORQUDYSA-L	luteolin 7-O-beta-D-glucuronide 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranuronosyloxy)-4-oxo-4H-chromen-5-olate luteolin 7-O-beta-D-glucosiduronate(2-)
kegg.compound:C03515 keggC:C03515 VSUOKLTVXQRUSG-ZFORQUDYSA-N	Luteolin 7-O-glucuronide Luteolin 7-O-beta-D-glucuronide
seed.compound:cpd02215 seedM:cpd02215 VSUOKLTVXQRUSG-ZFORQUDYSA-M	Luteolin 7-O-glucuronide Luteolin 7-O-beta-D-glucuronide luteolin 7-O-beta-D-glucuronide luteolin 7-O-glucuronide
lipidmaps:LMPK12110644 lipidmapsM:LMPK12110644 VSUOKLTVXQRUSG-ZFORQUDYSA-N	Luteolin 7-glucuronide
hmdb:HMDB0240541 VSUOKLTVXQRUSG-ZFORQUDYSA-N	Luteolin 7-glucuronide (2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid Cyanidenon-7-O-b-D-glucuronate Cyanidenon-7-O-b-D-glucuronic acid Cyanidenon-7-O-beta-D-glucuronate Cyanidenon-7-O-beta-D-glucuronic acid Luteolin 7-O-b-D-glucuronide Luteolin 7-O-b-D-glucuronopyranoside Luteolin 7-O-beta-D-glucuronide Luteolin 7-O-beta-D-glucuronopyranoside Luteolin 7-O-glucuronide Luteolin-7-glucuronide luteolin 7-O-glucuronide
CHEBI:58385 chebi:58385 VSUOKLTVXQRUSG-ZFORQUDYSA-M	luteolin 7-O-beta-D-glucosiduronate 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronate luteolin 7-O-beta-D-glucosiduronate anion luteolin 7-O-beta-D-glucosiduronate(1-)
CHEBI:18128 chebi:18128 VSUOKLTVXQRUSG-ZFORQUDYSA-N	luteolin 7-O-beta-D-glucosiduronic acid 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid Cyanidenon-7-O-beta-D-glucuronic acid Luteolin 7-O-beta-D-glucuronopyranoside Luteolin 7-O-glucuronide Luteolin 7-glucuronide
metacyc.compound:LUTEOLIN-7-O-BETA-D-GLUCURONIDE metacycM:LUTEOLIN-7-O-BETA-D-GLUCURONIDE VSUOKLTVXQRUSG-ZFORQUDYSA-M	luteolin 7-O-beta-D-glucuronide luteolin 7-O-glucuronide
chebi:14538 chebi:14540 chebi:25090 chebi:6583 keggC:M_C03515 seedM:M_cpd02215	secondary/obsolete/fantasy identifier