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

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afrormosin

	Properties	Image
MNX_ID	MNXM10606
reference	chebi:2506
formula	C₁₇H₁₄O₅
global charge	0
mol weight	298.294
InChIKey	KJGPBYUQZLUKLL-UHFFFAOYSA-N
InChI	InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3
SMILES	COC1=CC=C(C2=COC3=C(C=C(OC)C(O)=C3)C2=O)C=C1

MNX internals

InChI (mnx)	InChI=1/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3
SMILES (mnx)	[CH3:1][O:20][C:11]1=[CH:6][CH:4]=[C:10]([C:13]2=[CH:9][O:22][C:15]3=[CH:8][C:14]([OH:18])=[C:16]([O:21][CH3:2])[CH:7]=[C:12]3[C:17]2=[O:19])[CH:3]=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2506 chebi:2506 KJGPBYUQZLUKLL-UHFFFAOYSA-N	afrormosin 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
kegg.compound:C10199 keggC:C10199 KJGPBYUQZLUKLL-UHFFFAOYSA-N	Afrormosin
lipidmaps:LMPK12050100 lipidmapsM:LMPK12050100 KJGPBYUQZLUKLL-UHFFFAOYSA-N	Afrormosin 7-Hydroxy-6-methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one Afromosin
seed.compound:cpd07088 seedM:cpd07088 KJGPBYUQZLUKLL-UHFFFAOYSA-M	Afrormosin 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-chromen-4-one afromosin afrormosin
metacyc.compound:CPD-7026 metacycM:CPD-7026 KJGPBYUQZLUKLL-UHFFFAOYSA-N	afrormosin 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-chromen-4-one afromosin
keggC:M_C10199 seedM:M_cpd07088	secondary/obsolete/fantasy identifier