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(Q105211732)
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English
8-[4-Oxo-5beta-[(Z)-2-pentenyl]-2-cyclopentene-1alpha-yl]octanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9r,13r-opda
1 reference
based on heuristic
inferred from SMILES
12-Oxo phytodienoic acid
1 reference
based on heuristic
inferred from SMILES
mass
292.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
8-[(1R,5S)-4-Oxo-5-(pent-2-en-1-yl)cyclopent-2-en-1-yl]octanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
9R,13R-12-oxophytodienoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(9R,13R)-12-oxophytodienoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
9r,13r-Opda
1 reference
based on heuristic
inferred from InChI
9S,13R-12-oxophytodienoic acid
1 reference
based on heuristic
inferred from InChI
(15Z)-12-oxophyto-10,15-dienoic acid
1 reference
based on heuristic
inferred from InChI
8-[(1S,5R)-4-Oxo-5-(pent-2-en-1-yl)cyclopent-2-en-1-yl]octanoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₈O₃
0 references
canonical SMILES
O=C(O)CCCCCCCC1C=CC(=O)C1CC=CCC
0 references
isomeric SMILES
CC/C=C\C[C@@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)O
0 references
found in taxon
Schistostephium crataegifolium
1 reference
stated in
Sesquiterpene lactones and other constituents from Schistostephium species
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)/b7-3-/t15-,16+/m1/s1
0 references
InChIKey
PMTMAFAPLCGXGK-WGTGFREXSA-N
0 references
PubChem CID
14037060
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PMTMAFAPLCGXGK-WGTGFREXSA-N
UniChem compound ID
97689655
1 reference
stated in
UniChem
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