(1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene (CHEBI:69944)

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ChEBI Name	(1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene

ChEBI ID	CHEBI:69944

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

C20H32

Net Charge

Average Mass

272.46810

Monoisotopic Mass

272.25040

InChI

InChI=1S/C20H32/c1-15(2)18-12-14-20(5)13-11-17(4)8-6-7-16(3)9-10-19(18)20/h7,11,18-19H,1,6,8-10,12-14H2,2-5H3/b16-7+,17-11+/t18-,19+,20+/m1/s1

InChIKey

KZHMFCYCMBPVGZ-JFZLUAFOSA-N

SMILES

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

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.

ChEBI Ontology
Outgoing	(1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene (CHEBI:69944) has role metabolite (CHEBI:25212) (1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene (CHEBI:69944) 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:cyclic olefin(CHEBI:33642);