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(Q104910541)
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English
N-[[(1S,2S,4S,7Z,11S,12R)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-12-yl]methyl]acetamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
germacrane sesquiterpenoid
0 references
mass
307.17835828
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₅NO₄
0 references
canonical SMILES
CC(=O)NCC1C(=O)OC2C1CCC(C)=CCCC1(C)OC21
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isomeric SMILES
CC(=O)NC[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@]1(C)O[C@@H]21
0 references
found in taxon
Magnolia rajaniana
1 reference
stated in
Constituents of Michelia Rajaniana. Two new germacranolide amides
Identifiers
InChI
InChI=1S/C17H25NO4/c1-10-5-4-8-17(3)15(22-17)14-12(7-6-10)13(16(20)21-14)9-18-11(2)19/h5,12-15H,4,6-9H2,1-3H3,(H,18,19)/b10-5-/t12-,13-,14-,15-,17-/m0/s1
0 references
InChIKey
AETACSMBICRTEP-QGJAPQDVSA-N
0 references
PubChem CID
163004076
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AETACSMBICRTEP-QGJAPQDVSA-N
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