| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:05 UTC |
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| Update Date | 2025-03-25 00:51:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185493 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7N3O4 |
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| Molecular Mass | 221.0437 |
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| SMILES | Nc1nc2ccc(C(=O)O)c(O)c2c(=O)[nH]1 |
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| InChI Key | ALIYBNWEFKIWOQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | quinazolinamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsamino acidsazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonessalicylic acid and derivativesvinylogous acids |
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| Substituents | lactamcarboxylic acidamino acid or derivativesamino acidpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesquinazolinaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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