CHEBI:3420 - Carlina oxide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Carlina oxide
ChEBI ID CHEBI:3420
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C13H10O
Net Charge 0
Average Mass 182.218
Monoisotopic Mass 182.07316
InChI InChI=1S/C13H10O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,5-7,10-11H,8H2
InChIKey ICRHFCVRNWSKQH-UHFFFAOYSA-N
SMILES C(C#Cc1ccco1)c1ccccc1
ChEBI Ontology
Outgoing Carlina oxide (CHEBI:3420) is a benzenes (CHEBI:22712)
Synonym Source
Carlina oxide KEGG COMPOUND
Manual Xrefs Databases
C00001276 KNApSAcK
C08399 KEGG COMPOUND
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Registry Number Type Source
502-22-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014