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CHEBI:68148 - (+)-Shyobunone
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ChEBI Name
(+)-Shyobunone
ChEBI ID
CHEBI:68148
Definition
A natural product found in
Acorus calamus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C15H24O
Net Charge
0
Average Mass
220.35050
Monoisotopic Mass
220.18272
InChI
InChI=1S/C15H24O/c1-
7-
15(6)
9-
8-
12(10(2)
3)
14(16)
13(15)
11(4)
5/h7,10,12-
13H,1,4,8-
9H2,2-
3,5-
6H3/t12-
,13+,15+/m0/s1
InChIKey
GWHRSRIPLDHJHR-GZBFAFLISA-N
SMILES
CC(C)[C@@H]1CC[C@@](C)(C=C)[C@H](C(C)=C)C1=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
(+)-Shyobunone (
CHEBI:68148
)
has role
metabolite (
CHEBI:25212
)
(+)-Shyobunone (
CHEBI:68148
)
is a
sesquiterpenoid (
CHEBI:26658
)
Synonym
Source
(2S,3S,6S)-2-Isopropenyl-6-isopropyl-3-methyl-3-vinylcyclohexanone
ChEBI
Citation
Type
Source
21563811
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:cyclohexanones(CHEBI:23482);