cryptomeridiol (CHEBI:67796)

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ChEBI Name	cryptomeridiol

ChEBI ID	CHEBI:67796

Definition	A natural product found in Blumea balsamifera.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H28O2

Net Charge

Average Mass

240.38160

Monoisotopic Mass

240.20893

InChI

InChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11-,12-,14-,15-/m1/s1

InChIKey

LKKDASYGWYYFIK-QHSBEEBCSA-N

SMILES

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

Metabolite of Species	Details
Blumea balsamifera (NCBI:txid313920)	Found in leaf (BTO:0000713). Methanolic extract of air-dried, powdered leaves 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	cryptomeridiol (CHEBI:67796) has role metabolite (CHEBI:25212) cryptomeridiol (CHEBI:67796) is a eudesmane sesquiterpenoid (CHEBI:62508)

Synonyms	Sources
(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol	ChEBI
proximadiol	ChEBI
Proximadiol	KEGG COMPOUND

Registry Number	Type	Source
4666-84-6	CAS Registry Number	KEGG COMPOUND

Citation	Type	Source
21319848	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);