(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol (CHEBI:69849)

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ChEBI Name	(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol

ChEBI ID	CHEBI:69849

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

InChIKey

OZBVMKPZPKMEGY-CAEXGNQWSA-N

SMILES

[H][C@]1(CC[C@]2(C)[C@@H](O)CCC(=C)[C@@]12[H])[C@@H](O)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,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol (CHEBI:69849) has role metabolite (CHEBI:25212) (1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol (CHEBI:69849) is a sesquiterpenoid (CHEBI:26658)

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);