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

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Auranetin

	Properties	Image
MNX_ID	MNXM43008
reference	chebi:175776
formula	C₂₀H₂₀O₇
global charge	0
mol weight	372.373
InChIKey	DGNOHOXRWCCDLK-UHFFFAOYSA-N
InChI	InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)16-19(25-4)15(21)13-10-14(23-2)18(24-3)20(26-5)17(13)27-16/h6-10H,1-5H3
SMILES	COC1=CC=C(C2=C(OC)C(=O)C3=C(O2)C(OC)=C(OC)C(OC)=C3)C=C1

MNX internals

InChI (mnx)	InChI=1/C20H20O7/c1-22-12-8-6-11(7-9-12)16-19(25-4)15(21)13-10-14(23-2)18(24-3)20(26-5)17(13)27-16/h6-10H,1-5H3
SMILES (mnx)	[CH3:1][O:22][C:12]1=[CH:9][CH:7]=[C:11]([C:16]2=[C:19]([O:25][CH3:4])[C:15](=[O:21])[C:13]3=[CH:10][C:14]([O:23][CH3:2])=[C:18]([O:24][CH3:3])[C:20]([O:26][CH3:5])=[C:17]3[O:27]2)[CH:6]=[CH:8]1

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:175776 chebi:175776 DGNOHOXRWCCDLK-UHFFFAOYSA-N	Auranetin 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
lipidmaps:LMPK12111612 lipidmapsM:LMPK12111612 DGNOHOXRWCCDLK-UHFFFAOYSA-N	Auranetin
hmdb:HMDB0034278 DGNOHOXRWCCDLK-UHFFFAOYSA-N	Auranetin 3,4',6,7,8-Pentamethoxyflavone 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one Aurantin auranetin
hmdb:HMDB34278	secondary/obsolete/fantasy identifier