| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:50 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N3O4 |
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| Molecular Mass | 225.075 |
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| SMILES | CC(=O)Nc1c(N)c(N)cc(C(=O)O)c1O |
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| InChI Key | JUIVXYSNHDGKQZ-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetamidesacetanilidesamino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenolsprimary aminessalicylic acidssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylamineamino acid or derivativesamino acidbenzoyln-arylamidesalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamideacylaminobenzoic acid or derivativesacetanilidecarboxamide grouphydroxybenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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