| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:00 UTC |
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| Update Date | 2025-03-21 18:32:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090777 |
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| Frequency | 31.0 |
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| Structure | |
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| Chemical Formula | C8H8N2O5 |
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| Molecular Mass | 212.0433 |
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| SMILES | Nc1c(C(=O)O)cc(O)c(C(=O)O)c1N |
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| InChI Key | XVOIMORCONCPOE-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 compounds1-hydroxy-2-unsubstituted benzenoidsamino acidsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminessalicylic acidsvinylogous acidsvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidpara_phthalic_acidvinylogous amidehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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