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(Q105215578)
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English
Estafiatone
group of stereoisomers with the chemical formula C₁₅H₁₈O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=C1OC2C(C1=C)CCC(=C)C3CC(=O)C(C)C23
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2C1CCC(=C)[C@@H]1CC(=O)[C@@H](C)C12
0 references
found in taxon
Ainsliaea acerifolia
1 reference
stated in
Chemical constituents of Ainsliaea macrocephala
Eremanthus erythropappus
1 reference
stated in
Selective Extraction of α-Methylene-γ-Lactones. Reinvestigation of Vanillosmopsis erythropappa
Identifiers
InChI
InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h9-11,13-14H,1-2,4-6H2,3H3/t9-,10?,11+,13?,14+/m1/s1
0 references
InChIKey
PVRPBMBRMSXIHM-ZNFKVZEKSA-N
0 references
PubChem CID
101238032
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97596729
1 reference
stated in
UniChem
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