CHEBI:81487 - Isobergapten

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ChEBI Name Isobergapten
ChEBI ID CHEBI:81487
Stars This entity has been manually annotated by a third party.
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Formula C12H8O4
Net Charge 0
Average Mass 216.18950
Monoisotopic Mass 216.042
InChI InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3
InChIKey AJSPSRWWZBBIOR-UHFFFAOYSA-N
SMILES COc1cc2occc2c2oc(=O)ccc12
ChEBI Ontology
Outgoing Isobergapten (CHEBI:81487) is a furanocoumarin (CHEBI:24128)
Manual Xrefs Databases
C18082 KEGG COMPOUND
LSM-20952 LINCS
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Registry Number Type Source
482-48-4 CAS Registry Number KEGG COMPOUND
Last Modified
25 February 2016