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(Q83013879)
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English
1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-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
306.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂O₅
0 references
canonical SMILES
O=C1OC2(O)C(=C1C)CC3C(=CCC(OC(=O)C)C3(C)C2)C
0 references
isomeric SMILES
CC(=O)O[C@@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@@]3(O)C[C@]21C
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/C17H22O5/c1-9-5-6-14(21-11(3)18)16(4)8-17(20)13(7-12(9)16)10(2)15(19)22-17/h5,12,14,20H,6-8H2,1-4H3/t12-,14+,16+,17-/m0/s1
0 references
InChIKey
GGOAIQOGIKLZRJ-JFOHDYCDSA-N
0 references
CAS Registry Number
108044-19-5
0 references
PubChem CID
183921
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GGOAIQOGIKLZRJ-JFOHDYCDSA-N
UniChem compound ID
56832679
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30148368
1 reference
matched by identifier from
InChIKey
InChIKey
GGOAIQOGIKLZRJ-JFOHDYCDSA-N
DSSTOX compound identifier
DTXCID6070859
0 references
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