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(Q105221423)
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English
[(1S,10S,12R,16R)-16-hydroxy-4,5-dimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-12-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Delagoenine
1 reference
based on heuristic
inferred from SMILES
mass
347.17327290000003
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₅NO₅
0 references
canonical SMILES
O=C(OC1CCC23C4=CC(OC)=C(OC)C=C4CN(C(O)C2)C3C1)C
0 references
isomeric SMILES
COc1cc2c(cc1OC)[C@@]13CC[C@@H](OC(C)=O)C[C@@H]1N(C2)[C@H](O)C3
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Identifiers
InChI
InChI=1S/C19H25NO5/c1-11(21)25-13-4-5-19-9-18(22)20(17(19)7-13)10-12-6-15(23-2)16(24-3)8-14(12)19/h6,8,13,17-18,22H,4-5,7,9-10H2,1-3H3/t13-,17+,18-,19+/m1/s1
0 references
InChIKey
QIJBMKFTBGPWQV-MAAHGYRXSA-N
0 references
PubChem CID
162974017
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QIJBMKFTBGPWQV-MAAHGYRXSA-N
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