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(Q104917827)
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English
(4aR,9aR)-3,5,9a-trimethyl-4,4a-dihydrofuro[3,2-h][3]benzoxepin-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,5,9a-Trimethyl-4,4a-dihydrofuro[3,2-h][3]benzoxepin-2-one
1 reference
based on heuristic
inferred from SMILES
mass
244.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Tubipolide F
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₆O₃
0 references
canonical SMILES
O=C1OC2=CC3(C=COC=C(C)C3CC2=C1C)C
0 references
isomeric SMILES
CC1=COC=C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12
0 references
found in taxon
Smyrnium rotundifolium
1 reference
stated in
Sesquiterpene lactones from Smyrnium cordifolium
Identifiers
InChI
InChI=1S/C15H16O3/c1-9-8-17-5-4-15(3)7-13-11(6-12(9)15)10(2)14(16)18-13/h4-5,7-8,12H,6H2,1-3H3/t12-,15+/m0/s1
0 references
InChIKey
ASHFJTARVFWHHX-SWLSCSKDSA-N
0 references
PubChem CID
162898395
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ASHFJTARVFWHHX-SWLSCSKDSA-N
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