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

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imperatorin

	Properties	Image
MNX_ID	MNXM105718
reference	chebi:5885
formula	C₁₆H₁₄O₄
global charge	0
mol weight	270.284
InChIKey	OLOOJGVNMBJLLR-UHFFFAOYSA-N
InChI	InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
SMILES	CC(C)=CCOC1=C2OC=CC2=CC2=C1OC(=O)C=C2

MNX internals

InChI (mnx)	InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
SMILES (mnx)	[CH3:1][C:10]([CH3:2])=[CH:5][CH2:7][O:19][C:16]1=[C:15]2[C:11](=[CH:9][C:12]3=[C:14]1[O:18][CH:8]=[CH:6]3)[CH:3]=[CH:4][C:13](=[O:17])[O:20]2

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5885 chebi:5885 OLOOJGVNMBJLLR-UHFFFAOYSA-N	imperatorin 8-Isoamylenoxypsoralen 8-Isopentenyloxypsoralene 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one Ammidin Imperatorin Marmelosin Pentosalen
kegg.compound:C09269 keggC:C09269 OLOOJGVNMBJLLR-UHFFFAOYSA-N	Imperatorin
hmdb:HMDB0034376 OLOOJGVNMBJLLR-UHFFFAOYSA-N	Imperatorin 5-Hydroxy-8-(1,1-dimethylallyl)psoralen 8-Isoamylenoxypsoralen 8-Isopentenyloxypsoralene 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9ci 9-[(3-Methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one Ammidin Marmelide Marmelosin Pentasalen, ban Pentosalen imperatorin
seed.compound:cpd06164 seedM:cpd06164 OLOOJGVNMBJLLR-UHFFFAOYSA-N	Imperatorin 8-isoamylenoxypsoralen 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one imperatorin
metacyc.compound:CPD-20603 metacycM:CPD-20603 OLOOJGVNMBJLLR-UHFFFAOYSA-N	imperatorin 8-isoamylenoxypsoralen 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one
hmdb:HMDB34376 chebi:66070 keggC:M_C09269 seedM:M_cpd06164	secondary/obsolete/fantasy identifier