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

Feedback

Artemetin

	Properties	Image
MNX_ID	MNXM42697
reference	chebi:175930
formula	C₂₀H₂₀O₈
global charge	0
mol weight	388.372
InChIKey	RIGYMJVFEJNCKD-UHFFFAOYSA-N
InChI	InChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3
SMILES	COC1=CC2=C(C(=O)C(OC)=C(C3=CC(OC)=C(OC)C=C3)O2)C(O)=C1OC

MNX internals

InChI (mnx)	InChI=1/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3
SMILES (mnx)	[CH3:1][O:23][C:11]1=[C:12]([O:24][CH3:2])[CH:8]=[C:10]([C:18]2=[C:20]([O:27][CH3:5])[C:17](=[O:22])[C:15]3=[C:16]([OH:21])[C:19]([O:26][CH3:4])=[C:14]([O:25][CH3:3])[CH:9]=[C:13]3[O:28]2)[CH:6]=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175930 chebi:175930 RIGYMJVFEJNCKD-UHFFFAOYSA-N	Artemetin 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
metacyc.compound:CPD-14860 metacycM:CPD-14860 seed.compound:cpd34506 seedM:cpd34506 RIGYMJVFEJNCKD-UHFFFAOYSA-N	3,6,7,3',4'-pentamethylquercetagetin
hmdb:HMDB0030095 RIGYMJVFEJNCKD-UHFFFAOYSA-N	Artemetin 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one 5-Hydroxy-3,3',4',6,7-pentamethoxy-flavone 5-Hydroxy-3,3',4',6,7-pentamethoxyflavone Artemisetin Erianthin Penta-O-methylquercetagetin Quercetagetin-3,6,7,3',4'-pentamethylether VX-6 CPD artemetin
lipidmaps:LMPK12113017 lipidmapsM:LMPK12113017 RIGYMJVFEJNCKD-UHFFFAOYSA-N	Artemetin Quercetagetin 3,6,7,3',4'-pentamethyl ether
hmdb:HMDB30095 seedM:M_cpd34506	secondary/obsolete/fantasy identifier