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(Q82880520)
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English
1beta-Acetoxyeudesma-3,7(11)-dien-8,12-olide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3,5,8a-trimethyl-4a,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-8-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
274.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂O₃
0 references
canonical SMILES
O=C(OC1CC=C(C)C2CC3=C(OC=C3C)CC12C)C
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isomeric SMILES
CC1=CC[C@H]([C@]2([C@H]1CC3=C(C2)OC=C3C)C)OC(=O)C
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found in taxon
Smyrnium galaticum
1 reference
stated in
Additional Sesquiterpenoids from the Fruits of Smyrnium galaticum
Smyrnium perfoliatum
1 reference
stated in
The essential oil composition of fruits from smyrnium perfoliatum
Smyrnium cordifolium
1 reference
stated in
Additional Sesquiterpenoids from the Fruits of Smyrnium galaticum
Identifiers
InChI
InChI=1S/C17H22O3/c1-10-5-6-16(20-12(3)18)17(4)8-15-13(7-14(10)17)11(2)9-19-15/h5,9,14,16H,6-8H2,1-4H3/t14-,16+,17+/m0/s1
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InChIKey
WXMLDIHHGAREIG-USXIJHARSA-N
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CAS Registry Number
108044-18-4
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PubChem CID
183920
1 reference
matched by identifier from
InChIKey
InChIKey
WXMLDIHHGAREIG-USXIJHARSA-N
UniChem compound ID
45100381
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30910608
1 reference
matched by identifier from
InChIKey
InChIKey
WXMLDIHHGAREIG-USXIJHARSA-N
DSSTOX compound identifier
DTXCID301339653
0 references
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