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CHEBI:68149 - (+)-Preisocalamenediol

ChEBI IDCHEBI:68149
ChEBI Name(+)-Preisocalamenediol
Stars
DefinitionA natural product found in Acorus calamus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H24O
Net Charge0
Average Mass220.356
Monoisotopic Mass220.18272
SMILESC=C1CC/C=C(\C)CC[C@@H](C(C)C)C(=O)C1
InChIInChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6+/t14-/m0/s1
InChIKeyQTFJNWQFKJITEE-CYIWUNGXSA-N
Species of MetaboliteComponentSourceComments
Acorus calamus (ncbitaxon:4465) rhizome (BTO:0001181) PubMed (21563811) Dried and cut rhizomes(ground roots) extracted by maceration with petroleum ether
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(+)-Preisocalamenediol (CHEBI:68149) has role metabolite (CHEBI:25212)
(+)-Preisocalamenediol (CHEBI:68149) is a germacrane sesquiterpenoid (CHEBI:68588)
Synonym  Source
(2S,5E)-2-Isopropyl-5-methyl-9-methylene-5-cyclodecen-1-oneChEBI
Citations