| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:01 UTC |
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| Update Date | 2025-03-25 00:45:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148828 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8ClNO2 |
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| Molecular Mass | 209.0244 |
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| SMILES | O=C(O)C1=Cc2ccc(Cl)cc2CN1 |
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| InChI Key | YIYIECUAZIGJFR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganochlorideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundaryl chloridesecondary aliphatic amineazacyclesecondary aminearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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