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

Feedback

Lupiwighteone

	Properties	Image
MNX_ID	MNXM19111
reference	chebi:185842
formula	C₂₀H₁₈O₅
global charge	0
mol weight	338.359
InChIKey	YGCCASGFIOIXIN-UHFFFAOYSA-N
InChI	InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
SMILES	CC(C)=CCC1=C2OC=C(C3=CC=C(O)C=C3)C(=O)C2=C(O)C=C1O

MNX internals

InChI (mnx)	InChI=1/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
SMILES (mnx)	[CH3:1][C:11]([CH3:2])=[CH:3][CH2:8][C:14]1=[C:20]2[C:18](=[C:17]([OH:23])[CH:9]=[C:16]1[OH:22])[C:19](=[O:24])[C:15]([C:12]1=[CH:5][CH:7]=[C:13]([OH:21])[CH:6]=[CH:4]1)=[CH:10][O:25]2

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:185842 chebi:185842 YGCCASGFIOIXIN-UHFFFAOYSA-N	Lupiwighteone 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
seed.compound:cpd24648 seedM:cpd24648 YGCCASGFIOIXIN-UHFFFAOYSA-M	8-prenyl-5,7,4'-trihydroxyisoflavone lupiwighteone
lipidmaps:LMPK12050196 lipidmapsM:LMPK12050196 YGCCASGFIOIXIN-UHFFFAOYSA-N	Lupiwighteone 5,7,4'-Trihydroxy-8-prenylisoflavone
hmdb:HMDB0038902 YGCCASGFIOIXIN-UHFFFAOYSA-N	Lupiwighteone 5,7,4'-Trihydroxy-8-prenylisoflavone 5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9ci 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one lupiwighteone
metacyc.compound:CPD-6721 metacycM:CPD-6721 YGCCASGFIOIXIN-UHFFFAOYSA-M	lupiwighteone 8-prenyl-5,7,4'-trihydroxyisoflavone
hmdb:HMDB38902 seedM:M_cpd24648	secondary/obsolete/fantasy identifier