CHEBI:3885 - Cornudentanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cornudentanone
ChEBI ID CHEBI:3885
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H34O5
Net Charge 0
Average Mass 378.503
Monoisotopic Mass 378.24062
InChI InChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-12-13-20(27-17(2)23)15-18-14-19(24)16-21(26-3)22(18)25/h14,16,20H,4-13,15H2,1-3H3
InChIKey JIUGZSYPFREDLG-UHFFFAOYSA-N
SMILES CCCCCCCCCCCC(CC1=CC(=O)C=C(OC)C1=O)OC(C)=O
ChEBI Ontology
Outgoing Cornudentanone (CHEBI:3885) is a carboxylic ester (CHEBI:33308)
Synonym Source
Cornudentanone KEGG COMPOUND
Manual Xrefs Databases
C00002810 KNApSAcK
C10320 KEGG COMPOUND
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Registry Number Type Source
110979-06-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014