CHEBI:68149 - (+)-Preisocalamenediol

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ChEBI Name (+)-Preisocalamenediol
ChEBI ID CHEBI:68149
Definition A natural product found in Acorus calamus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H24O
Net Charge 0
Average Mass 220.35050
Monoisotopic Mass 220.18272
InChI InChI=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
InChIKey QTFJNWQFKJITEE-CYIWUNGXSA-N
SMILES CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O
Metabolite of Species Details
Acorus calamus (NCBI:txid4465) Found in rhizome (BTO:0001181). Dried and cut rhizomes(ground roots) extracted by maceration with petroleum ether 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-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-one ChEBI
Citation Waiting for Citations Type Source
21563811 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cyclic ketone(CHEBI:3992);