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CHEBI:138967 - ent-cassa-12,15-dien-2β-ol

ChEBI IDCHEBI:138967
ChEBI Nameent-cassa-12,15-dien-2β-ol
Stars
ASCII Nameent-cassa-12,15-dien-2beta-ol
DefinitionA diterpenoid that is ent-cassa-12,15-diene in which the hydrogen at position 2β has been replaced by a hydroxy group.
Last Modified16 January 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32O
Net Charge0
Average Mass288.475
Monoisotopic Mass288.24532
SMILES[H][C@@]12CC=C(C=C)[C@@H](C)[C@@]1([H])CC[C@]1([H])C(C)(C)C[C@H](O)C[C@@]21C
InChIInChI=1S/C20H32O/c1-6-14-7-9-17-16(13(14)2)8-10-18-19(3,4)11-15(21)12-20(17,18)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15+,16-,17-,18-,20+/m1/s1
InChIKeyXABYPRBWQNEUHH-IIPJSQIGSA-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-2β-ol (CHEBI:138967) has parent hydride ent-cassa-12,15-diene (CHEBI:50060)
ent-cassa-12,15-dien-2β-ol (CHEBI:138967) has role plant metabolite (CHEBI:76924)
ent-cassa-12,15-dien-2β-ol (CHEBI:138967) is a diterpenoid (CHEBI:23849)
ent-cassa-12,15-dien-2β-ol (CHEBI:138967) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2α,5β,8α,9β,10α,14β)-13-ethenyl-14-methylpodocarp-12-en-2-ol
Synonym  Source
2α-hydroxy-ent-cassadieneMetaCyc
UniProt Name  Source
ent-cassa-12,15-dien-2β-olUniProt
Manual XrefsDatabases
CPD-16719MetaCyc
Citations