| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:57 UTC |
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| Update Date | 2025-03-21 18:07:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066808 |
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| Frequency | 45.6 |
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| Structure | |
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| Chemical Formula | C9H10N2O2 |
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| Molecular Mass | 178.0742 |
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| SMILES | O=C(O)C1CNc2ccccc2N1 |
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| InChI Key | VRRWYUWUFBCTEZ-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 acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acidsecondary aminesecondary aliphatic/aromatic amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganoheterocyclic compoundorganooxygen compound |
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