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CHEBI:138970 - ent-3β-hydroxycassa-12,15-dien-2-one

ChEBI IDCHEBI:138970
ChEBI Nameent-3β-hydroxycassa-12,15-dien-2-one
Stars
ASCII Nameent-3beta-hydroxycassa-12,15-dien-2-one
DefinitionA diterpenoid that is ent-cassa-12,15-diene carrying oxo and hydroxy substituents at positions 2 and 3β respectively.
Last Modified6 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@@]12CC=C(C=C)[C@@H](C)[C@@]1([H])CC[C@]1([H])C(C)(C)[C@H](O)C(=O)C[C@@]21C
InChIInChI=1S/C20H30O2/c1-6-13-7-9-15-14(12(13)2)8-10-17-19(3,4)18(22)16(21)11-20(15,17)5/h6-7,12,14-15,17-18,22H,1,8-11H2,2-5H3/t12-,14-,15-,17-,18-,20+/m1/s1
InChIKeyRKUSAVLJYNJIBF-NOZYNBGTSA-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-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) has parent hydride ent-cassa-12,15-diene (CHEBI:50060)
ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) has role plant metabolite (CHEBI:76924)
ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) is a cyclic terpene ketone (CHEBI:36130)
ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) is a diterpenoid (CHEBI:23849)
ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) is a secondary alcohol (CHEBI:35681)
ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(3α,5β,8α,9β,10α,14β)-13-ethenyl-3-hydroxy-14-methylpodocarp-12-en-2-one
UniProt Name  Source
ent-3β-hydroxycassa-12,15-dien-2-oneUniProt
Manual XrefsDatabases
CPD-20325MetaCyc
Citations