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(Q105178630)
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English
(1S)-2-Oxo-4-methoxy-5beta-propyl-3-cyclopentene-1alpha-acetic acid methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 2-(3-methoxy-5-oxo-2-propylcyclopent-3-en-1-yl)acetate
1 reference
based on heuristic
inferred from SMILES
mass
226.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R)-2-Oxo-4-methoxy-5alpha-propyl-3-cyclopentene-1beta-acetic acid methyl ester
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₈O₄
0 references
canonical SMILES
O=C(OC)CC1C(=O)C=C(OC)C1CCC
0 references
isomeric SMILES
CCC[C@@H]1C(OC)=CC(=O)[C@H]1CC(=O)OC
0 references
found in taxon
Erigeron annuus
1 reference
stated in
Two new cyclopentenone derivatives and a new cyclooctadienone derivative from Erigeron annuus (L.) PERS., Erigeron philadelphicus L., and Erigeron sumatrensis RETZ.
Philadelphia fleabane
1 reference
stated in
Two new cyclopentenone derivatives and a new cyclooctadienone derivative from Erigeron annuus (L.) PERS., Erigeron philadelphicus L., and Erigeron sumatrensis RETZ.
Conyza sumatrensis
1 reference
stated in
Two new cyclopentenone derivatives and a new cyclooctadienone derivative from Erigeron annuus (L.) PERS., Erigeron philadelphicus L., and Erigeron sumatrensis RETZ.
Erigeron sumatrensis
1 reference
stated in
Two new cyclopentenone derivatives and a new cyclooctadienone derivative from Erigeron annuus (L.) PERS., Erigeron philadelphicus L., and Erigeron sumatrensis RETZ.
Identifiers
InChI
InChI=1S/C12H18O4/c1-4-5-8-9(6-12(14)16-3)10(13)7-11(8)15-2/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
0 references
InChIKey
NFRUZLCRXIYQPR-IUCAKERBSA-N
0 references
PubChem CID
101248509
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NFRUZLCRXIYQPR-IUCAKERBSA-N
UniChem compound ID
96894707
1 reference
stated in
UniChem
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