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

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osthenol

	Properties	Image
MNX_ID	MNXM20099
reference	chebi:81485
formula	C₁₄H₁₄O₃
global charge	0
mol weight	230.263
InChIKey	RAKJVIPCCGXHHS-UHFFFAOYSA-N
InChI	InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3
SMILES	CC(C)=CCC1=C2OC(=O)C=CC2=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3
SMILES (mnx)	[CH3:1][C:9]([CH3:2])=[CH:3][CH2:6][C:11]1=[C:12]([OH:15])[CH:7]=[CH:4][C:10]2=[C:14]1[O:17][C:13](=[O:16])[CH:8]=[CH:5]2

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:81485 chebi:81485 RAKJVIPCCGXHHS-UHFFFAOYSA-N	osthenol 7-hydroxy--2H-1-benzopyran-2-one 7-hydroxy-8-(3-methyl-but-2-enyl)coumarin 7-hydroxy-8-prenylcoumarin 8-(3-methylbut-2-en-1-yl)umbelliferone 8-prenylumbelliferone
kegg.compound:C18080 keggC:C18080 RAKJVIPCCGXHHS-UHFFFAOYSA-N	Osthenol
hmdb:HMDB0034130 RAKJVIPCCGXHHS-UHFFFAOYSA-N	Osthenol 7-Hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one 7-Hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one, 9ci 7-Hydroxy-8-(3-methyl-but-2-enyl)coumarin 7-Hydroxy-8-prenylcoumarin 7-hydroxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one 7-hydroxy-8-(3-methylbut-2-en-1-yl)chromen-2-one 8-(3-Methylbut-2-en-1-yl)umbelliferone 8-Prenylumbelliferone
seed.compound:cpd18061 seedM:cpd18061 RAKJVIPCCGXHHS-UHFFFAOYSA-N	Osthenol 7-hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one osthenol
metacyc.compound:CPD-9838 metacycM:CPD-9838 RAKJVIPCCGXHHS-UHFFFAOYSA-N	osthenol 7-hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one
hmdb:HMDB34130 keggC:M_C18080 seedM:M_cpd18061	secondary/obsolete/fantasy identifier