(3S,3aS,6E,10E,12aR)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-3,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulen-1(2H)-one (CHEBI:69942)

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ChEBI Name	(3S,3aS,6E,10E,12aR)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-3,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulen-1(2H)-one

ChEBI ID	CHEBI:69942

Definition	A natural product found in Dilophus spiralis.

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

Supplier Information

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Formula

C20H30O

Net Charge

Average Mass

286.45160

Monoisotopic Mass

286.22967

InChI

InChI=1S/C20H30O/c1-14(2)17-13-19(21)20(5)12-11-16(4)8-6-7-15(3)9-10-18(17)20/h7,11,17-18H,1,6,8-10,12-13H2,2-5H3/b15-7+,16-11+/t17-,18+,20-/m1/s1

InChIKey

RNHJVFUOEQKJEA-CEEAILBXSA-N

SMILES

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

Metabolite of Species	Details
Dilophus sp.ralis (NCBI:txid499621)	Dichloromethane and methanol 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 (3S,3aS,6E,10E,12aR)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-3,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulen-1(2H)-one )

ChEBI Ontology
Outgoing	(3S,3aS,6E,10E,12aR)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-3,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulen-1(2H)-one (CHEBI:69942) has role metabolite (CHEBI:25212) (3S,3aS,6E,10E,12aR)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-3,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulen-1(2H)-one (CHEBI:69942) is a diterpenoid (CHEBI:23849) (3S,3aS,6E,10E,12aR)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-3,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulen-1(2H)-one (CHEBI:69942) is a dolabellane diterpenoid (CHEBI:144945)

Citation	Type	Source
21190330	PubMed citation	Europe PMC

Last Modified

24 September 2019

General Comment
2014-10-17	Suggested Classification: ISA:ketone(CHEBI:17087);