| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:27 UTC |
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| Update Date | 2025-03-21 18:04:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053792 |
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| Frequency | 60.1 |
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| Structure | |
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| Chemical Formula | C9H11NO6 |
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| Molecular Mass | 229.0586 |
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| SMILES | O=C(O)C(O)C(O)Cn1ccc(=O)c(O)c1 |
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| InChI Key | RQPOWYAQRSEKNJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidecyclic ketonecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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