2-((1S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl)propan-2-ol (CHEBI:69953)

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ChEBI Name	2-((1S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl)propan-2-ol

ChEBI ID	CHEBI:69953

Definition	A natural product found in Dilophus spiralis.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C20H34O

Net Charge

Average Mass

290.48340

Monoisotopic Mass

290.26097

InChI

InChI=1S/C20H34O/c1-15-7-6-8-16(2)11-13-20(5)14-12-17(19(3,4)21)18(20)10-9-15/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+/t17-,18-,20-/m0/s1

InChIKey

OEBBSSBZPLXOHC-JZTGRNQQSA-N

SMILES

[H][C@@]12CC\C(C)=C\CC\C(C)=C\C[C@@]1(C)CC[C@@H]2C(C)(C)O

Metabolite of Species	Details
Dilophus sp.ralis (NCBI:txid499621)	Dichloromethane extract of freeze-dried alga See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via 2-((1S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl)propan-2-ol )

ChEBI Ontology
Outgoing	2-((1S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl)propan-2-ol (CHEBI:69953) has role metabolite (CHEBI:25212) 2-((1S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl)propan-2-ol (CHEBI:69953) is a diterpenoid (CHEBI:23849)

Citation	Type	Source
21190330	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822);