Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:17377 - bergaptol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
bergaptol
ChEBI ID
CHEBI:17377
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:12136, CHEBI:3068, CHEBI:13894, CHEBI:22755, CHEBI:22756
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C11H6O4
Net Charge
0
Average Mass
202.16294
Monoisotopic Mass
202.02661
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
InChIKey
GIJHDGJRTUSBJR-UHFFFAOYSA-N
SMILES
Oc1c2ccoc2cc2oc(=O)ccc12
ChEBI Ontology
Outgoing
bergaptol (
CHEBI:17377
)
is a
5-hydroxyfurocoumarin (
CHEBI:52058
)
bergaptol (
CHEBI:17377
)
is a
psoralens (
CHEBI:26369
)
bergaptol (
CHEBI:17377
)
is conjugate acid of
bergaptol(1−) (
CHEBI:77728
)
Incoming
bergaptol(1−) (
CHEBI:77728
)
is conjugate base of
bergaptol (
CHEBI:17377
)
IUPAC Name
4-hydroxy-7
H
-furo[3,2-
g
]chromen-7-one
Synonyms
Sources
5-Hydroxyfuranocoumarin
KEGG COMPOUND
5-Hydroxypsoralen
KEGG COMPOUND
Bergaptol
KEGG COMPOUND
Manual Xrefs
Databases
C00000581
KNApSAcK
C00758
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
486-60-2
CAS Registry Number
KEGG COMPOUND
486-60-2
CAS Registry Number
ChemIDplus
Last Modified
28 July 2014