| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:35 UTC |
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| Update Date | 2025-03-21 17:58:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016646 |
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| Frequency | 256.2 |
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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 | O=C(O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | XAVFGDZINHIWPZ-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 | azacyclic compoundsbenzenoidscarbamic acidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidazacyclecarbamic acidindoleheteroaromatic compoundindole or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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