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

Feedback

Isokanugin

	Properties	Image
MNX_ID	MNXM57984
reference	chebi:184142
formula	C₁₉H₁₆O₇
global charge	0
mol weight	356.33
InChIKey	GDROEPRRAVOAOE-UHFFFAOYSA-N
InChI	InChI=1S/C19H16O7/c1-21-11-7-14(22-2)16-15(8-11)26-18(19(23-3)17(16)20)10-4-5-12-13(6-10)25-9-24-12/h4-8H,9H2,1-3H3
SMILES	COC1=CC2=C(C(=O)C(OC)=C(C3=CC=C4OCOC4=C3)O2)C(OC)=C1

MNX internals

InChI (mnx)	InChI=1/C19H16O7/c1-21-11-7-14(22-2)16-15(8-11)26-18(19(23-3)17(16)20)10-4-5-12-13(6-10)25-9-24-12/h4-8H,9H2,1-3H3
SMILES (mnx)	[CH3:1][O:21][C:11]1=[CH:7][C:14]([O:22][CH3:2])=[C:16]2[C:15](=[CH:8]1)[O:26][C:18]([C:10]1=[CH:6][C:13]3=[C:12]([CH:5]=[CH:4]1)[O:24][CH2:9][O:25]3)=[C:19]([O:23][CH3:3])[C:17]2=[O:20]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:184142 chebi:184142 GDROEPRRAVOAOE-UHFFFAOYSA-N	Isokanugin 2-(1,3-benzodioxol-5-yl)-3,5,7-trimethoxychromen-4-one
lipidmaps:LMPK12112733 lipidmapsM:LMPK12112733 GDROEPRRAVOAOE-UHFFFAOYSA-N	Isokanugin 3,5,7-Trimethoxy-3',4'-methylenedioxyflavone