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

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flavanone 7-O-beta-D-glucoside

	Properties	Image
MNX_ID	MNXM6134
reference	chebi:27590
formula	C₂₁H₂₂O₈
global charge	0
mol weight	402.399
InChIKey	HPMCYOSTTZQBAP-UZQFATADSA-N
InChI	InChI=1S/C21H22O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-6-7-13-14(23)9-15(28-16(13)8-12)11-4-2-1-3-5-11/h1-8,15,17-22,24-26H,9-10H2/t15?,17-,18-,19+,20-,21-/m1/s1
SMILES	O=C1CC(C2=CC=CC=C2)OC2=C1C=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2

MNX internals

InChI (mnx)	InChI=1/C21H22O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-6-7-13-14(23)9-15(28-16(13)8-12)11-4-2-1-3-5-11/h1-8,15,17-22,24-26H,9-10H2/t15?,17-,18-,19+,20-,21-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:11]([CH:15]2[CH2:9][C:14](=[O:23])[C:13]3=[C:16]([CH:8]=[C:12]([O:27][C@H:21]4[C@H:20]([OH:26])[C@@H:19]([OH:25])[C@H:18]([OH:24])[C@@H:17]([CH2:10][OH:22])[O:29]4)[CH:6]=[CH:7]3)[O:28]2)[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27590 chebi:27590 HPMCYOSTTZQBAP-UZQFATADSA-N	flavanone 7-O-beta-D-glucoside 4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside 7-hydroxyflavanone 7-O-beta-D-glucoside Flavanone 7-O-beta-D-glucoside Flavanone 7-O-glucoside
seed.compound:cpd27032 seedM:cpd27032 HPMCYOSTTZQBAP-UZQFATADSA-N	FLAVANONE-7-O-GLUCOSIDES
kegg.compound:C04007 keggC:C04007 HPMCYOSTTZQBAP-UZQFATADSA-N	Flavanone 7-O-beta-D-glucoside Flavanone 7-O-glucoside
seed.compound:cpd02485 seedM:cpd02485 HPMCYOSTTZQBAP-UZQFATADSA-N	Flavanone 7-O-glucoside Flavanone 7-O-beta-D-glucoside
metacyc.compound:FLAVANONE-7-O-GLUCOSIDES metacycM:FLAVANONE-7-O-GLUCOSIDES HPMCYOSTTZQBAP-UZQFATADSA-N	a flavanone-7-O-beta-D-glucoside
metacyc.compound:Flavanone-Beta-D-Glucosides metacycM:Flavanone-Beta-D-Glucosides HPMCYOSTTZQBAP-UZQFATADSA-N	a flavanone-beta-D-glucoside
CHEBI:13637 chebi:13637	flavanone 7-O-beta-D-glucoside flavanone 7-O-beta-D-glucosides
chebi:24037 chebi:5071 keggC:M_C04007 seedM:M_cpd02485 seedM:M_cpd27032	secondary/obsolete/fantasy identifier