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CHEBI:138969 - ent-cassa-12,15-dien-2-one

ChEBI IDCHEBI:138969
ChEBI Nameent-cassa-12,15-dien-2-one
Stars
ASCII Nameent-cassa-12,15-dien-2-one
DefinitionA diterpenoid that is ent-cassa-12,15-diene in which the methylene hydrogens at position 2 have been replaced by a keto group.
Last Modified16 January 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILES[H][C@@]12CC=C(C=C)[C@@H](C)[C@@]1([H])CC[C@]1([H])C(C)(C)CC(=O)C[C@@]21C
InChIInChI=1S/C20H30O/c1-6-14-7-9-17-16(13(14)2)8-10-18-19(3,4)11-15(21)12-20(17,18)5/h6-7,13,16-18H,1,8-12H2,2-5H3/t13-,16-,17-,18-,20+/m1/s1
InChIKeyUAILOMMIENLFJQ-HSJLDRMUSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) - PubMed (25758958)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
ent-cassa-12,15-dien-2-one (CHEBI:138969) has parent hydride ent-cassa-12,15-diene (CHEBI:50060)
ent-cassa-12,15-dien-2-one (CHEBI:138969) has role plant metabolite (CHEBI:76924)
ent-cassa-12,15-dien-2-one (CHEBI:138969) is a cyclic terpene ketone (CHEBI:36130)
ent-cassa-12,15-dien-2-one (CHEBI:138969) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(5β,8α,9β,10α,14β)-13-ethenyl-14-methylpodocarp-12-en-2-one
Synonyms  Source
2-oxo-ent-cassa-12,15-dieneChEBI
2-keto-ent-cassa-12,15-dieneChEBI
UniProt Name  Source
ent-cassa-12,15-dien-2-oneUniProt
Manual XrefsDatabases
CPD-20324MetaCyc
Citations