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(Q105211731)
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English
12-Oxo phytodienoic acid
group of stereoisomers with the chemical formula C₁₈H₂₈O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
292.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₈O₃
0 references
canonical SMILES
O=C(O)CCCCCCCC1C=CC(=O)C1CC=CCC
0 references
found in taxon
Arabidopsis thaliana
1 reference
stated in
Oxylipins arabidopsides C and D from Arabidopsis thaliana
Identifiers
InChI
InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)
0 references
InChIKey
PMTMAFAPLCGXGK-UHFFFAOYSA-N
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CAS Registry Number
67204-66-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
188366
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
60563041
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR310790
1 reference
InChIKey
PMTMAFAPLCGXGK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS082401
1 reference
InChIKey
PMTMAFAPLCGXGK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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