CHEBI:2828 - Arnebinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Arnebinone
ChEBI ID CHEBI:2828
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H22O4
Net Charge 0
Average Mass 302.366
Monoisotopic Mass 302.15181
InChI InChI=1S/C18H22O4/c1-7-18(4)9-8-11(10(2)3)12-13(18)15(20)17(22-6)16(21-5)14(12)19/h7,11H,1-2,8-9H2,3-6H3
InChIKey OXNJGMNJOVOFOW-UHFFFAOYSA-N
SMILES COC1=C(OC)C(=O)C2=C(C(CCC2(C)C=C)C(C)=C)C1=O
ChEBI Ontology
Outgoing Arnebinone (CHEBI:2828) is a monoterpenoid (CHEBI:25409)
Synonym Source
Arnebinone KEGG COMPOUND
Manual Xrefs Databases
C00002795 KNApSAcK
C10302 KEGG COMPOUND
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Registry Number Type Source
87255-09-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014