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

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acacetin

	Properties	Image
MNX_ID	MNXM114600
reference	chebi:57284
formula	C₁₆H₁₁O₅
global charge	-1
mol weight	283.259
InChIKey	DANYIYRPLHHOCZ-UHFFFAOYSA-M
InChI	InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3/p-1
SMILES	COC1=CC=C(C2=CC(=O)C3=C(C=C([O-])C=C3O)O2)C=C1

MNX internals

InChI (mnx)	InChI=1/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
SMILES (mnx)	[CH3:1][O:20][C:11]1=[CH:5][CH:3]=[C:9]([C:14]2=[CH:8][C:13](=[O:19])[C:16]3=[C:12]([OH:18])[CH:6]=[C:10]([OH:17])[CH:7]=[C:15]3[O:21]2)[CH:2]=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57284 chebi:57284 DANYIYRPLHHOCZ-UHFFFAOYSA-M	acacetin 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
CHEBI:15335 chebi:15335 DANYIYRPLHHOCZ-UHFFFAOYSA-N	5,7-dihydroxy-4'-methoxyflavone 4'-Methoxy-5,7-dihydroxyflavone 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone 5,7-Dihydroxy-4'-methoxyflavone 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one Acacetin Linarigenin
lipidmaps:LMPK12110468 lipidmapsM:LMPK12110468 DANYIYRPLHHOCZ-UHFFFAOYSA-N	Acacetin
seed.compound:cpd01043 seedM:cpd01043 DANYIYRPLHHOCZ-UHFFFAOYSA-M	Acacetin 4'-Methoxy-5,7-dihydroxyflavone 4'-methoxy-5,7-dihydroxyflavone 5,7-Dihydroxy-4'-methoxyflavone 5,7-dihydroxy-4'-methoxyflavone acacetin linarigenin linarisenin
sabiork.compound:5604 sabiorkM:5604 kegg.compound:C01470 keggC:C01470 DANYIYRPLHHOCZ-UHFFFAOYSA-N	Acacetin 4'-Methoxy-5,7-dihydroxyflavone 5,7-Dihydroxy-4'-methoxyflavone
vmhM:acctn vmhmetabolite:acctn DANYIYRPLHHOCZ-UHFFFAOYSA-N	Acacetin 7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
metacyc.compound:CPD-1095 metacycM:CPD-1095 DANYIYRPLHHOCZ-UHFFFAOYSA-M	acacetin 4'-methoxy-5,7-dihydroxyflavone 5,7-dihydroxy-4'-methoxyflavone linarigenin linarisenin
chebi:11915 chebi:20520 chebi:2371 keggC:M_C01470 seedM:M_cpd01043 vmhM:M_acctn	secondary/obsolete/fantasy identifier