| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:05 UTC |
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| Update Date | 2025-03-25 00:53:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201479 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O2 |
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| Molecular Mass | 166.0742 |
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| SMILES | Cc1c[nH]c2c1CC(C(=O)O)N2 |
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| InChI Key | FCAFWHSNHAJTQA-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 compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acidheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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