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(Q83013880)
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English
1-Oxoeudesm-7(11)-en-8,12-olide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
eudesmane sesquiterpenoid
0 references
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C1OC2C(=C1C)CC3C(C)CCC(=O)C3(C)C2
0 references
isomeric SMILES
C[C@@H]1CCC(=O)[C@]2([C@H]1CC3=C(C(=O)O[C@H]3C2)C)C
0 references
found in taxon
Smyrnium galaticum
1 reference
stated in
Additional Sesquiterpenoids from the Fruits of Smyrnium galaticum
Smyrnium cordifolium
1 reference
stated in
Additional Sesquiterpenoids from the Fruits of Smyrnium galaticum
Identifiers
InChI
InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h8,11-12H,4-7H2,1-3H3/t8-,11+,12+,15-/m1/s1
0 references
InChIKey
YTCKQTWKHOQCJV-CNUFELBWSA-N
0 references
CAS Registry Number
108044-20-8
0 references
PubChem CID
183922
1 reference
matched by identifier from
InChIKey
InChIKey
YTCKQTWKHOQCJV-CNUFELBWSA-N
UniChem compound ID
51982611
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90148369
1 reference
matched by identifier from
InChIKey
InChIKey
YTCKQTWKHOQCJV-CNUFELBWSA-N
DSSTOX compound identifier
DTXCID5070860
0 references
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