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(Q105283011)
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English
[12-(Hydroxymethyl)-5,13-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-6-yl]methanol
group of stereoisomers with the chemical formula C₁₂H₁₆N₂O₄
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Statements
instance of
group of stereoisomers
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subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
252.111006992
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₆N₂O₄
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canonical SMILES
OCC1OCC=2N=C3C(=NC2C1)CC(OC3)CO
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Identifiers
InChI
InChI=1S/C12H16N2O4/c15-3-7-1-9-11(5-17-7)14-12-6-18-8(4-16)2-10(12)13-9/h7-8,15-16H,1-6H2
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InChIKey
VAVQYCCDQASVOI-UHFFFAOYSA-N
0 references
PubChem CID
74051552
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VAVQYCCDQASVOI-UHFFFAOYSA-N
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