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

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luteone

	Properties	Image
MNX_ID	MNXM19114
reference	chebi:27917
formula	C₂₀H₁₈O₆
global charge	0
mol weight	354.358
InChIKey	MMPVAPMCVABQPS-UHFFFAOYSA-N
InChI	InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3
SMILES	CC(C)=CCC1=C(O)C2=C(C=C1O)OC=C(C1=C(O)C=C(O)C=C1)C2=O

MNX internals

InChI (mnx)	InChI=1/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3
SMILES (mnx)	[CH3:1][C:10]([CH3:2])=[CH:3][CH2:5][C:13]1=[C:19]([OH:24])[C:18]2=[C:17]([CH:8]=[C:16]1[OH:23])[O:26][CH:9]=[C:14]([C:12]1=[C:15]([OH:22])[CH:7]=[C:11]([OH:21])[CH:4]=[CH:6]1)[C:20]2=[O:25]

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:27917 chebi:27917 MMPVAPMCVABQPS-UHFFFAOYSA-N	luteone 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one Luteone
kegg.compound:C10498 keggC:C10498 MMPVAPMCVABQPS-UHFFFAOYSA-N	Luteone
lipidmaps:LMPK12050287 lipidmapsM:LMPK12050287 MMPVAPMCVABQPS-UHFFFAOYSA-N	Luteone (isoflavone) 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
hmdb:HMDB0036595 MMPVAPMCVABQPS-UHFFFAOYSA-N	Luteone 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9ci 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one 5 beta-Spirostane-3 beta,6 alpha-diol Luteone? Ruizgenin Ruizgenin, (3beta,5alpha,6alpha,25R)-isomer Ruizgenin, (3beta,5alpha,6alpha,25S)-isomer Ruizgenin, (3beta,5alpha,6beta,25R)-isomer luteone
seed.compound:cpd07384 seedM:cpd07384 MMPVAPMCVABQPS-UHFFFAOYSA-L	Luteone 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 6-isopentenyl-2'-hydroxygenistein luteone
metacyc.compound:CPD-6642 metacycM:CPD-6642 MMPVAPMCVABQPS-UHFFFAOYSA-M	luteone 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 6-isopentenyl-2'-hydroxygenistein
hmdb:HMDB36595 chebi:25092 chebi:6585 keggC:M_C10498 seedM:M_cpd07384	secondary/obsolete/fantasy identifier