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(Q105179954)
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4-Oxobedfordiaic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1R,5S)-5-Methyl-alpha-methylene-4-(3-oxobutyl)-3-cycloheptene-1-acetic acid
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[(1S,5R)-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C(O)C(=C)C1CC=C(CCC(=O)C)C(C)CC1
0 references
isomeric SMILES
C=C(C(=O)O)[C@H]1CC=C(CCC(C)=O)[C@@H](C)CC1
0 references
found in taxon
Xanthium pungens
2 references
stated in
Sesquiterpene lactones from Xanthium pungens
stated in
Sesquiterpene lactones from Xanthium pungens
Xanthium indicum
1 reference
stated in
Xanthanolides from Xanthium indicum
Xanthium chinense
1 reference
stated in
Sesquiterpene lactones from Xanthium pungens
Xanthium strumarium
1 reference
stated in
Sesquiterpene lactones from Xanthium pungens
Identifiers
InChI
InChI=1S/C15H22O3/c1-10-4-6-14(12(3)15(17)18)9-8-13(10)7-5-11(2)16/h8,10,14H,3-7,9H2,1-2H3,(H,17,18)/t10-,14+/m0/s1
0 references
InChIKey
NIQIMYXBAQAIAT-IINYFYTJSA-N
0 references
PubChem CID
14633036
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NIQIMYXBAQAIAT-IINYFYTJSA-N
UniChem compound ID
53292282
1 reference
stated in
UniChem
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