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bergaptol

PropertiesImage
MNX_IDMNXM3925 Image of MNXM3925
referencechebi:77728
formulaC11H5O4
global charge-1
mol weight201.157
InChIKeyGIJHDGJRTUSBJR-UHFFFAOYSA-M
InChIInChI=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
SMILESO=C1C=CC2=C(C=C3OC=CC3=C2[O-])O1
MNX internals
InChI (mnx)InChI=1/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H Image of MNXM3925
SMILES (mnx)[CH:1]1=[CH:2][C:10](=[O:12])[O:15][C:9]2=[C:6]1[C:11]([OH:13])=[C:7]1[CH:3]=[CH:4][O:14][C:8]1=[CH:5]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77728
chebi:77728
GIJHDGJRTUSBJR-UHFFFAOYSA-M 		bergaptol
7-oxo-7H-furo[3,2-g]chromen-4-olate
bergaptol(1-)
hmdb:HMDB0013679
GIJHDGJRTUSBJR-UHFFFAOYSA-N 		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

vmhM:bergptl
vmhmetabolite:bergptl
GIJHDGJRTUSBJR-UHFFFAOYSA-N 		Bergaptol
4-hydroxy-7H-furo[3,2-g]chromen-7-one

kegg.compound:C00758
keggC:C00758
GIJHDGJRTUSBJR-UHFFFAOYSA-N 		Bergaptol
5-Hydroxyfuranocoumarin
5-Hydroxypsoralen

seed.compound:cpd00564
seedM:cpd00564
GIJHDGJRTUSBJR-UHFFFAOYSA-M 		Bergaptol
5-Hydroxyfuranocoumarin
5-Hydroxypsoralen
5-hydroxyfuranocoumarin
5-hydroxypsoralen
bergaptol

CHEBI:17377
chebi:17377
GIJHDGJRTUSBJR-UHFFFAOYSA-N 		bergaptol
4-hydroxy-7H-furo[3,2-g]chromen-7-one
5-Hydroxyfuranocoumarin
5-Hydroxypsoralen
Bergaptol

metacyc.compound:BERGAPTOL
metacycM:BERGAPTOL
GIJHDGJRTUSBJR-UHFFFAOYSA-N 		bergaptol
5-hydroxyfuranocoumarin
5-hydroxypsoralen

hmdb:HMDB13679
chebi:12136
chebi:13894
chebi:22755
chebi:22756
chebi:3068
keggC:M_C00758
seedM:M_cpd00564
vmhM:M_bergptl 		secondary/obsolete/fantasy identifier