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(Q104913215)
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English
(3aS,4aR,8aS,9aS)-4a-hydroxy-5,8a-dimethyl-3-methylidene-3a,4,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one
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=C1OC2CC3(C)CCC=C(C)C3(O)CC2C1=C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2C[C@]3(C)CCC=C(C)[C@@]3(O)C[C@@H]12
0 references
found in taxon
Chiloscyphus polyanthos
1 reference
stated in
Pungent sesquiterpene lactones of the european liverworts Chiloscyphus polyanthus and Diplophyllum albicans
Identifiers
InChI
InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-12-11(7-15(9,14)17)10(2)13(16)18-12/h5,11-12,17H,2,4,6-8H2,1,3H3/t11-,12-,14-,15-/m0/s1
0 references
InChIKey
AJJJWHWLQMMCLC-JURCDPSOSA-N
0 references
PubChem CID
163103367
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AJJJWHWLQMMCLC-JURCDPSOSA-N
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