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

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nevadensin

	Properties	Image
MNX_ID	MNXM64528
reference	chebi:192756
formula	C₁₈H₁₅O₇
global charge	-1
mol weight	343.311
InChIKey	KRFBMPVGAYGGJE-UHFFFAOYSA-M
InChI	InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3/p-1
SMILES	COC1=CC=C(C2=CC(=O)C3=C(O2)C(OC)=C([O-])C(OC)=C3O)C=C1

MNX internals

InChI (mnx)	InChI=1/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3
SMILES (mnx)	[CH3:1][O:22][C:10]1=[CH:7][CH:5]=[C:9]([C:12]2=[CH:8][C:11](=[O:19])[C:13]3=[C:14]([OH:20])[C:17]([O:23][CH3:2])=[C:15]([OH:21])[C:18]([O:24][CH3:3])=[C:16]3[O:25]2)[CH:4]=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:192756 chebi:192756 KRFBMPVGAYGGJE-UHFFFAOYSA-M	nevadensin nevadensin-7-olate
kegg.compound:C10111 keggC:C10111 KRFBMPVGAYGGJE-UHFFFAOYSA-N	Nevadensin
lipidmaps:LMPK12111442 lipidmapsM:LMPK12111442 KRFBMPVGAYGGJE-UHFFFAOYSA-N	Nevadensin 2-(4-Methoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
hmdb:HMDB0255572 KRFBMPVGAYGGJE-UHFFFAOYSA-N	Nevadensin 5,7-Hydroxy-4',6,8-trimethoxyflavone 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one Pedunculin nevadensin
seed.compound:cpd07000 seedM:cpd07000 KRFBMPVGAYGGJE-UHFFFAOYSA-M	Nevadensin 5,7-dihydroxy-6,8,4'-trimethoxyflavone flavone, 5,7-dihydroxy-4',6,8-trimethoxy- lysionotin nebadensin nevadensin pedunculin
metacyc.compound:CPD-15468 metacycM:CPD-15468 KRFBMPVGAYGGJE-UHFFFAOYSA-N	nevadensin 5,7-dihydroxy-6,8,4'-trimethoxyflavone flavone, 5,7-dihydroxy-4',6,8-trimethoxy- lysionotin nebadensin pedunculin
CHEBI:7545 chebi:7545 KRFBMPVGAYGGJE-UHFFFAOYSA-N	nevadensin 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 5,7-hydroxy-4',6,8-trimethoxyflavone Pedunculin
keggC:M_C10111 seedM:M_cpd07000	secondary/obsolete/fantasy identifier