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

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scutellarein

	Properties	Image
MNX_ID	MNXM7762
reference	chebi:78328
formula	C₁₅H₉O₆
global charge	-1
mol weight	285.231
InChIKey	JVXZRQGOGOXCEC-UHFFFAOYSA-M
InChI	InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H/p-1
SMILES	O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C(O)C([O-])=C2

MNX internals

InChI (mnx)	InChI=1/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
SMILES (mnx)	[CH:1]1=[CH:3][C:8]([OH:16])=[CH:4][CH:2]=[C:7]1[C:11]1=[CH:5][C:9](=[O:17])[C:13]2=[C:12]([CH:6]=[C:10]([OH:18])[C:14]([OH:19])=[C:15]2[OH:20])[O:21]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:78328 chebi:78328 JVXZRQGOGOXCEC-UHFFFAOYSA-M	scutellarein 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate scutellarein(1-)
lipidmaps:LMPK12111160 lipidmapsM:LMPK12111160 JVXZRQGOGOXCEC-UHFFFAOYSA-N	Scutellarein
seed.compound:cpd07073 seedM:cpd07073 JVXZRQGOGOXCEC-UHFFFAOYSA-M	Scutellarein 4',5,6,7-tetrahydroxyflavone 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one 6-Hydroxyapigenin Isocarthamidin scutellarein
sabiork.compound:12269 sabiorkM:12269 kegg.compound:C10184 keggC:C10184 JVXZRQGOGOXCEC-UHFFFAOYSA-N	Scutellarein 6-Hydroxyapigenin Isocarthamidin
CHEBI:9062 chebi:9062 JVXZRQGOGOXCEC-UHFFFAOYSA-N	scutellarein 4',5,6,7-Tetrahydroxyflavanone 5,6,7,4'-Tetrahydroxyflavone 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 6-Hydroxyapigenin Isocarthamidin Scutellarein
metacyc.compound:CPD-12726 metacycM:CPD-12726 JVXZRQGOGOXCEC-UHFFFAOYSA-N	scutellarein 4',5,6,7-tetrahydroxyflavone 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
keggC:M_C10184 seedM:M_cpd07073	secondary/obsolete/fantasy identifier