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

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kaempferide

	Properties	Image
MNX_ID	MNXM4628
reference	chebi:58925
formula	C₁₆H₁₁O₆
global charge	-1
mol weight	299.258
InChIKey	SQFSKOYWJBQGKQ-UHFFFAOYSA-M
InChI	InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3/p-1
SMILES	COC1=CC=C(C2=C([O-])C(=O)C3=C(C=C(O)C=C3O)O2)C=C1

MNX internals

InChI (mnx)	InChI=1/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
SMILES (mnx)	[CH3:1][O:21][C:10]1=[CH:5][CH:3]=[C:8]([C:16]2=[C:15]([OH:20])[C:14](=[O:19])[C:13]3=[C:11]([OH:18])[CH:6]=[C:9]([OH:17])[CH:7]=[C:12]3[O:22]2)[CH:2]=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58925 chebi:58925 SQFSKOYWJBQGKQ-UHFFFAOYSA-M	kaempferide 5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-olate kaempferide anion kaempferide(1-)
lipidmaps:LMPK12110563 lipidmapsM:LMPK12110563 SQFSKOYWJBQGKQ-UHFFFAOYSA-N	Kaempferide
hmdb:HMDB0037441 SQFSKOYWJBQGKQ-UHFFFAOYSA-N	Kaempferide 1.3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone 3 5 7-Trihydroxy-4'-methoxyflavone 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9ci 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one 3,5,7-Trihydroxy-4'-methoxy-flavone 3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one 4'-Methoxy-3,5,7-trihydroxy-flavanone 4'-Methoxy-3,5,7-trihydroxyflavone 4'-Methylkaempferol 4'-O-Methylkaempferol 5,7-Dihydroxy-4'-methoxyflavonol Campheride Kaemferide Kaempferid Kaempferol 4'-methyl ether Kampferide Kampheride Kempferide kaempferide
sabiork.compound:12183 sabiorkM:12183 SQFSKOYWJBQGKQ-UHFFFAOYSA-N	Kaempferide Kaempferol 4'-methyl ether
kegg.compound:C10098 keggC:C10098 SQFSKOYWJBQGKQ-UHFFFAOYSA-N	Kaempferide Kaempferol 4'-methyl ether Kempferide
seed.compound:cpd06987 seedM:cpd06987 SQFSKOYWJBQGKQ-UHFFFAOYSA-L	Kaempferide Kaempferol 4'-methyl ether Kempferide kaempferide
metacyc.compound:CPD-7252 metacycM:CPD-7252 SQFSKOYWJBQGKQ-UHFFFAOYSA-M	kaempferide
CHEBI:6099 chebi:6099 SQFSKOYWJBQGKQ-UHFFFAOYSA-N	kaempferide 1.3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone 3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one 4'-O-Methylkaempferol Campheride Kaempferide Kaempferol 4'-methyl ether
hmdb:HMDB37441 keggC:M_C10098 seedM:M_cpd06987	secondary/obsolete/fantasy identifier