| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:35 UTC |
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| Update Date | 2025-03-21 18:35:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106870 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C8H8N2O4 |
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| Molecular Mass | 196.0484 |
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| SMILES | Nc1c(C(=O)O)ccc(C(=O)O)c1N |
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| InChI Key | PSVSZBOMJGAVRS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | p-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary amine1-carboxy-2-haloaromatic compoundorganic nitrogen compoundbenzoic acidamineorganooxygen compoundpara_phthalic_acid |
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