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(Q104985066)
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English
(4aR,9aS,10aS)-3,5,9a-trimethyl-4,4a,10,10a-tetrahydrofuro[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,10,10a-tetrahydrofuro[3,2-h][3]benzoxepin-2-one
1 reference
based on heuristic
inferred from SMILES
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Smyrnicordiolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=C1OC2C(=C1C)CC3C(=COC=CC3(C)C2)C
0 references
isomeric SMILES
CC1=COC=C[C@@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12
0 references
found in taxon
Smyrnium cordifolium
1 reference
stated in
Oxepine derivatives from the roots of Smyrnium rotundifolium
Smyrnium rotundifolium
1 reference
stated in
Sesquiterpene lactones from Smyrnium cordifolium
Identifiers
InChI
InChI=1S/C15H18O3/c1-9-8-17-5-4-15(3)7-13-11(6-12(9)15)10(2)14(16)18-13/h4-5,8,12-13H,6-7H2,1-3H3/t12-,13-,15-/m0/s1
0 references
InChIKey
DMFSWNMSKDPBCG-YDHLFZDLSA-N
0 references
PubChem CID
163081908
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DMFSWNMSKDPBCG-YDHLFZDLSA-N
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