(1R,2R,4aS,5R,8aR)-2-isopropyl-4a-methyl-8-methylenedecahydronaphthalene-1,5-diol (CHEBI:69845)

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ChEBI Name	(1R,2R,4aS,5R,8aR)-2-isopropyl-4a-methyl-8-methylenedecahydronaphthalene-1,5-diol

ChEBI ID	CHEBI:69845

Definition	A natural product found in Sanicula lamelligera.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H26O2

Net Charge

Average Mass

238.36570

Monoisotopic Mass

238.19328

InChI

InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12-,13+,14-,15-/m1/s1

InChIKey

WKKJGHCXVKEJNU-UXXRCYHCSA-N

SMILES

[H][C@]12[C@H](O)[C@H](CC[C@]1(C)[C@H](O)CCC2=C)C(C)C

Metabolite of Species	Details
Sanicula lamelligera (NCBI:txid84533)	Found in whole plant (BTO:0001461). 80% aqueous ethanolic extract of dried, powdered whole plant 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,2R,4aS,5R,8aR)-2-isopropyl-4a-methyl-8-methylenedecahydronaphthalene-1,5-diol (CHEBI:69845) has role metabolite (CHEBI:25212) (1R,2R,4aS,5R,8aR)-2-isopropyl-4a-methyl-8-methylenedecahydronaphthalene-1,5-diol (CHEBI:69845) is a eudesmane sesquiterpenoid (CHEBI:62508)

Citation	Type	Source
21561060	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822);