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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:28853 - isopimpinellin
Main
ChEBI Ontology
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ChEBI Name
isopimpinellin
ChEBI ID
CHEBI:28853
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:6040, CHEBI:23815
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Formula
C13H10O5
Net Charge
0
Average Mass
246.21550
Monoisotopic Mass
246.05282
InChI
InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
InChIKey
DFMAXQKDIGCMTL-UHFFFAOYSA-N
SMILES
COc1c2ccoc2c(OC)c2oc(=O)ccc12
ChEBI Ontology
Outgoing
isopimpinellin (
CHEBI:28853
)
is a
psoralens (
CHEBI:26369
)
IUPAC Name
4,9-dimethoxy-7
H
-furo[3,2-
g
]chromen-7-one
Synonyms
Sources
5,8-Dimethoxypsoralen
ChemIDplus
5,8-Dimethoxypsoralen
KEGG COMPOUND
5,8-Dimethoxypsoralene
ChemIDplus
Isopimpinellin
KEGG COMPOUND
isopimpinellin
UniProt
Manual Xrefs
Databases
C00000583
KNApSAcK
LSM-25618
LINCS
View more database links
Registry Numbers
Types
Sources
262337
Beilstein Registry Number
Beilstein
482-27-9
CAS Registry Number
KEGG COMPOUND
Last Modified
25 February 2016