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(Q104396250)
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English
[(1S,4R,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] acetate
group of stereoisomers with the chemical formula C₁₇H₂₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
mass
306.146723804
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₇H₂₂O₅
0 references
canonical SMILES
O=C1OC2C3OC3(C)CCC=C(C)CC(OC(=O)C)C2C1=C
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isomeric SMILES
C=C1C(=O)O[C@@H]2C3O[C@]3(C)CCC=C(C)CC(OC(C)=O)[C@@H]12
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Identifiers
InChI
InChI=1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-13(10(2)16(19)21-14)12(8-9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/t12?,13-,14+,15?,17-/m1/s1
0 references
InChIKey
ODYJJNFWFYUXSS-OBZZQFPASA-N
0 references
PubChem CID
137795933
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ODYJJNFWFYUXSS-OBZZQFPASA-N
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