| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:24 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199872 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO5 |
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| Molecular Mass | 223.0481 |
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| SMILES | Cn1ccc(=O)c(C(=O)CC(=O)C(=O)O)c1 |
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| InChI Key | LJYKZPYNHOBBDZ-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesazacyclic compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundcyclic ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinegamma-keto acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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