| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:37 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182193 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O2 |
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| Molecular Mass | 192.0899 |
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| SMILES | O=C(O)C1Cc2ccccc2NCN1 |
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| InChI Key | VIUSJCATHPDMTA-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 acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acidsecondary aminesecondary aliphatic/aromatic amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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