rel-(1R,3E,7E,11R,12R)-12-Hydroxy-3,7-dolabelladiene (CHEBI:69954)

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ChEBI Name	rel-(1R,3E,7E,11R,12R)-12-Hydroxy-3,7-dolabelladiene

ChEBI ID	CHEBI:69954

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(2)20(21)14-13-19(5)12-11-17(4)8-6-7-16(3)9-10-18(19)20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+/t18-,19+,20-/m1/s1

InChIKey

RVTWKSHZFSEJRD-RGYXUMAVSA-N

SMILES

[H][C@@]12CCC(C)=CCC\C(C)=C\C[C@@]1(C)CC[C@@]2(O)C(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	rel-(1R,3E,7E,11R,12R)-12-Hydroxy-3,7-dolabelladiene (CHEBI:69954) has role metabolite (CHEBI:25212) rel-(1R,3E,7E,11R,12R)-12-Hydroxy-3,7-dolabelladiene (CHEBI:69954) 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);