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

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isoscopoletin

	Properties	Image
MNX_ID	MNXM58306
reference	chebi:81484
formula	C₁₀H₈O₄
global charge	0
mol weight	192.17
InChIKey	SYTYLPHCLSSCOJ-UHFFFAOYSA-N
InChI	InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
SMILES	COC1=C(O)C=C2C=CC(=O)OC2=C1

MNX internals

InChI (mnx)	InChI=1/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
SMILES (mnx)	[CH3:1][O:13][C:9]1=[C:7]([OH:11])[CH:4]=[C:6]2[CH:2]=[CH:3][C:10](=[O:12])[O:14][C:8]2=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:81484 chebi:81484 SYTYLPHCLSSCOJ-UHFFFAOYSA-N	isoscopoletin 6-hydroxy-7-methoxy-2-benzopyrone 6-hydroxy-7-methoxy-2H-1-benzopyran-2-one 6-hydroxy-7-methoxy-2H-chromen-2-one 6-hydroxy-7-methoxychromen-2-one 6-hydroxy-7-methoxycoumarin 6-hydroxyherniarin 7-methoxyesculetin esculetin, 7-methyl ether
kegg.compound:C18079 keggC:C18079 SYTYLPHCLSSCOJ-UHFFFAOYSA-N	Isoscopoletin
seed.compound:cpd18060 seedM:cpd18060 SYTYLPHCLSSCOJ-UHFFFAOYSA-N	Isoscopoletin 6-hydroxy-7-methoxychromen-2-one 6-hydroxy-7-methoxycoumarin 7-methoxyesculetin 7-methyl esculetin isoscopoletin
metacyc.compound:CPD-14453 metacycM:CPD-14453 SYTYLPHCLSSCOJ-UHFFFAOYSA-N	isoscopoletin 6-hydroxy-7-methoxychromen-2-one 6-hydroxy-7-methoxycoumarin 7-methoxyesculetin
keggC:M_C18079 seedM:M_cpd18060	secondary/obsolete/fantasy identifier