| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:22 UTC |
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| Update Date | 2025-03-21 18:31:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084624 |
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| Frequency | 33.9 |
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| Structure | |
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| Chemical Formula | C12H9NO4 |
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| Molecular Mass | 231.0532 |
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| SMILES | O=C(c1ccccn1)c1c(O)cc(O)cc1O |
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| InChI Key | XMPJVNDPVQVGFC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesaryl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphloroglucinols and derivativespyridinecarboxylic acids and derivativesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidphloroglucinol derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacyclebenzenetriolaryl-phenylketoneheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidvinylogous acidpyridinephenolhydrocarbon derivativebenzenoidorganic nitrogen compound |
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