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bergaptol

Properties

Image

Occurences in reactions

MNX_ID

MNXM3925

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₁H₅O₄

charge

-1

mass

201.01933

reference

InChIKey

GIJHDGJRTUSBJR-UHFFFAOYSA-M

InChI

InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H/p-1

SMILES

O=c1ccc2c([O-])c3ccoc3cc2o1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77728 chebi:77728	bergaptol 7-oxo-7H-furo[3,2-g]chromen-4-olate bergaptol(1-)
hmdb:HMDB0013679	Bergaptol 4-Hydroxy-7H-furo(3,2-g)chromen-7-one 4-Hydroxy-7H-furo[3,2-g]chromen-7-one 4-Hydroxy-7H-furo[3,2-g]chromen-7-one (acd/name 4.0) 4-hydroxy-7H-furo[3,2-g]chromen-7-one 5-HYDROXY-psoralin 5-Hydroxyfuranocoumarin 5-Hydroxypsoralen Bergaptols bergaptol
kegg.compound:C00758 keggC:C00758	Bergaptol 5-Hydroxyfuranocoumarin 5-Hydroxypsoralen
seed.compound:cpd00564 seedM:cpd00564	Bergaptol 5-Hydroxyfuranocoumarin 5-Hydroxypsoralen 5-hydroxyfuranocoumarin 5-hydroxypsoralen bergaptol
CHEBI:17377 chebi:17377	bergaptol 4-hydroxy-7H-furo[3,2-g]chromen-7-one 5-Hydroxyfuranocoumarin 5-Hydroxypsoralen Bergaptol
metacyc.compound:BERGAPTOL metacycM:BERGAPTOL	bergaptol 5-hydroxyfuranocoumarin 5-hydroxypsoralen
hmdb:HMDB13679 chebi:12136 chebi:13894 chebi:22755 chebi:22756 chebi:3068 keggC:M_C00758 seedM:M_cpd00564	secondary/obsolete/fantasy identifier