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

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isowighteone

	Properties	Image
MNX_ID	MNXM105849
reference	chebi:69749
formula	C₂₀H₁₈O₅
global charge	0
mol weight	338.359
InChIKey	SWDSVBNAMCDHTF-UHFFFAOYSA-N
InChI	InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3
SMILES	CC(C)=CCC1=C(O)C=CC(C2=COC3=C(C2=O)C(O)=CC(O)=C3)=C1

MNX internals

InChI (mnx)	InChI=1/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3
SMILES (mnx)	[CH3:1][C:11]([CH3:2])=[CH:3][CH2:4][C:13]1=[C:16]([OH:22])[CH:6]=[CH:5][C:12]([C:15]2=[CH:10][O:25][C:18]3=[CH:9][C:14]([OH:21])=[CH:8][C:17]([OH:23])=[C:19]3[C:20]2=[O:24])=[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:69749 chebi:69749 SWDSVBNAMCDHTF-UHFFFAOYSA-N	isowighteone 3'-(gamma,gamma-dimethylallyl)genistein 3'-isoprenylgenistein 3'-prenyl-5,7,4'-trihydroxyisoflavone 5,7,4'-trihydroxy-3'-prenylisoflavone 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one
hmdb:HMDB0037920 SWDSVBNAMCDHTF-UHFFFAOYSA-N	3'-(gamma,gamma-Dimethylallyl)genistein 3'-(g,g-Dimethylallyl)genistein 3'-(gamma,gamma-dimethylallyl)genistein 3'-Isoprenylgenistein 3'-Prenyl-5,7,4'-trihydroxyisoflavone 3'-Prenylgenistein 5,7,4'-Trihydroxy-3'-prenylisoflavone 5,7-Dihydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one, 9ci 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one Isowighteone isowighteone
seed.compound:cpd24649 seedM:cpd24649 SWDSVBNAMCDHTF-UHFFFAOYSA-M	3'-prenyl-5,7,4'-trihydroxyisoflavone isowighteone
lipidmaps:LMPK12050192 lipidmapsM:LMPK12050192 SWDSVBNAMCDHTF-UHFFFAOYSA-N	Isowighteone 3'-Prenylgenistein 5,7,4'-Trihydroxy-3'-prenylisoflavone
metacyc.compound:CPD-6722 metacycM:CPD-6722 SWDSVBNAMCDHTF-UHFFFAOYSA-M	isowighteone 3'-prenyl-5,7,4'-trihydroxyisoflavone
hmdb:HMDB37920 seedM:M_cpd24649	secondary/obsolete/fantasy identifier