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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:84966 - ipsdienone
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ChEBI Ontology
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ChEBI Name
ipsdienone
ChEBI ID
CHEBI:84966
Definition
A member of the class of monoterpene ketones that is octa-2,7-dien-4-one substituted at positions 2 and 6 by methyl and methylidene groups respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C10H14O
Net Charge
0
Average Mass
150.21760
Monoisotopic Mass
150.10447
InChI
InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3
InChIKey
RPDIIOSMVGHNKJ-UHFFFAOYSA-N
SMILES
CC(C)=CC(=O)CC(=C)C=C
Metabolite of Species
Details
Ips pini
(NCBI:txid102803)
See:
PubMed
Clausena anisata
(NCBI:txid159034)
Found in leaf
(BTO:0000713)
. See:
DOI
Clausena anisata
(NCBI:txid159034)
Found in seed
(BTO:0001226)
. See:
DOI
Ips paraconfusus
(NCBI:txid89938)
See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ipsdienone (
CHEBI:84966
)
has role
animal metabolite (
CHEBI:75767
)
ipsdienone (
CHEBI:84966
)
has role
plant metabolite (
CHEBI:76924
)
ipsdienone (
CHEBI:84966
)
is a
enone (
CHEBI:51689
)
ipsdienone (
CHEBI:84966
)
is a
monoterpene ketone (
CHEBI:25408
)
IUPAC Name
2-methyl-6-methylideneocta-2,7-dien-4-one
Synonyms
Sources
2-methyl-6-methylene-2,7-octadien-4-one
MetaCyc
ipsdienone
UniProt
Manual Xref
Database
CPD-15919
MetaCyc
View more database links
Registry Numbers
Types
Sources
1924646
Reaxys Registry Number
Reaxys
539-70-8
CAS Registry Number
MetaCyc
Citations
Types
Sources
20727970
PubMed citation
Europe PMC
22101251
PubMed citation
SUBMITTER
24318848
PubMed citation
Europe PMC
IND22016409
Agricola citation
Europe PMC
Last Modified
22 April 2015