CHEBI:6777 - Mesembrenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mesembrenone
ChEBI ID CHEBI:6777
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H21NO3
Net Charge 0
Average Mass 287.354
Monoisotopic Mass 287.152
InChI InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1
InChIKey HDNHBCSWFYFPAN-IRXDYDNUSA-N
SMILES COc1ccc(cc1OC)[C@]12CCN(C)[C@H]1CC(=O)C=C2
ChEBI Ontology
Outgoing Mesembrenone (CHEBI:6777) is a pyrrolidines (CHEBI:38260)
Synonym Source
Mesembrenone KEGG COMPOUND
Manual Xrefs Databases
C00001748 KNApSAcK
C09223 KEGG COMPOUND
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Registry Number Type Source
80287-15-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014