CHEBI:2827 - Arnebinol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Arnebinol
ChEBI ID CHEBI:2827
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H20O2
Net Charge 0
Average Mass 244.329
Monoisotopic Mass 244.14633
InChI InChI=1S/C16H20O2/c1-12-4-3-5-13(2)11-18-15-8-9-16(17)14(10-15)7-6-12/h5-6,8-10,17H,3-4,7,11H2,1-2H3/b12-6+,13-5+
InChIKey BSXTWYDVYNXVHH-YKNDAMCPSA-N
SMILES C\C1=C/Cc2cc(OC\C(C)=C\CC1)ccc2O
ChEBI Ontology
Outgoing Arnebinol (CHEBI:2827) is a phenols (CHEBI:33853)
Synonym Source
Arnebinol KEGG COMPOUND
Manual Xrefs Databases
C00002979 KNApSAcK
C09917 KEGG COMPOUND
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Registry Number Type Source
87064-17-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014