| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:15 UTC |
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| Update Date | 2025-03-21 18:03:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043951 |
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| Frequency | 77.1 |
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| Structure | |
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| Chemical Formula | C12H12N2O4 |
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| Molecular Mass | 248.0797 |
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| SMILES | NC(CC(=O)c1c[nH]c2ccc(O)cc12)C(=O)O |
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| InChI Key | HCVJPIVYGVYVTO-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesazacyclic compoundsbenzenoidscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketoneindole1-hydroxy-2-unsubstituted benzenoidketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundindole or derivativesgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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