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(Q104167479)
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Haematopodin
group of stereoisomers with the chemical formula C₁₃H₁₂N₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolo[4,3,2-de]quinoline alkaloid
1 reference
inferred from
pyrrolo[4,3,2-de]quinoline alkaloid
mass
244.084792244
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₂N₂O₃
0 references
canonical SMILES
O=C1C=C2C3=C(NC=C3CC4OCCCN24)C1=O
0 references
Identifiers
InChI
InChI=1S/C13H12N2O3/c16-9-5-8-11-7(6-14-12(11)13(9)17)4-10-15(8)2-1-3-18-10/h5-6,10,14H,1-4H2
0 references
InChIKey
GTVMGUBGOSWMOJ-UHFFFAOYSA-N
0 references
PubChem CID
10857709
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
174261
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H12N2O3/c16-9-5-8-11-7(6-14-12(11)13(9)17)4-10-15(8)2-1-3-18-10/h5-6,10,14H,1-4H2
UniChem compound ID
32009549
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0040734
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GTVMGUBGOSWMOJ-UHFFFAOYSA-N
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