ent-cassa-12,15-dien-2beta,3beta-diol (CHEBI:138968)

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CHEBI:138968 - ent-cassa-12,15-dien-2β,3β-diol

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ChEBI ID	CHEBI:138968
ChEBI Name	ent-cassa-12,15-dien-2β,3β-diol
Stars
ASCII Name	ent-cassa-12,15-dien-2beta,3beta-diol
Definition	A diterpenoid that is ent-cassa-12,15-diene in which the hydrogens at positions 2β and 3β have been replaced by hydroxy groups.
Last Modified	16 January 2018
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C20H32O2
Net Charge	0
Average Mass	304.474
Monoisotopic Mass	304.24023
SMILES	[H][C@@]12CC=C(C=C)[C@@H](C)[C@@]1([H])CC[C@]1([H])C(C)(C)[C@H](O)[C@H](O)C[C@@]21C
InChI	InChI=1S/C20H32O2/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/h6-7,12,14-18,21-22H,1,8-11H2,2-5H3/t12-,14-,15-,16-,17-,18-,20+/m1/s1
InChIKey	FMPZXFBEGPUMKF-HUIUSYGUSA-N

Species of Metabolite	Component	Source	Comments
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,3β-diol (CHEBI:138968) has parent hydride ent-cassa-12,15-diene (CHEBI:50060)
	ent-cassa-12,15-dien-2β,3β-diol (CHEBI:138968) has role plant metabolite (CHEBI:76924)
	ent-cassa-12,15-dien-2β,3β-diol (CHEBI:138968) is a diol (CHEBI:23824)
	ent-cassa-12,15-dien-2β,3β-diol (CHEBI:138968) is a diterpenoid (CHEBI:23849)
	ent-cassa-12,15-dien-2β,3β-diol (CHEBI:138968) is a secondary alcohol (CHEBI:35681)

IUPAC Name
(2α,3α,5β,8α,9β,10α,14β)-13-ethenyl-14-methylpodocarp-12-ene-2,3-diol

UniProt Name	Source
ent-cassa-12,15-dien-2β,3β-ol	UniProt

Manual Xrefs	Databases
CPD-20413	MetaCyc

Citations