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(Q105253106)
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English
(3S,3aR,4S,6S,7S,7aS)-6-ethenyl-4-hydroxy-3,6-dimethyl-7-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
elemane sesquiterpenoid
0 references
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S,3aR,4S,6S,7S,7aR)-6-ethenyl-4-hydroxy-3,6-dimethyl-7-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C1OC2C(C(=C)C)C(C=C)(C)CC(O)C2C1C
0 references
isomeric SMILES
C=C[C@]1(C)C[C@H](O)[C@H]2[C@H](C)C(=O)O[C@H]2[C@H]1C(=C)C
0 references
found in taxon
Achillea atrata
1 reference
stated in
Flavones and sesquiterpene lactones from Achillea atrata subsp. multifida: antimicrobial activity
Identifiers
InChI
InChI=1S/C15H22O3/c1-6-15(5)7-10(16)11-9(4)14(17)18-13(11)12(15)8(2)3/h6,9-13,16H,1-2,7H2,3-5H3/t9-,10-,11+,12+,13+,15+/m0/s1
0 references
InChIKey
SHOVXNQCIIOQBN-DMWPXEFISA-N
0 references
PubChem CID
162938865
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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