| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:55 UTC |
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| Update Date | 2025-03-21 18:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035922 |
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| Frequency | 98.8 |
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| Structure | |
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| Chemical Formula | C10H10O4 |
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| Molecular Mass | 194.0579 |
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| SMILES | O=C(O)C(O)C(=O)Cc1ccccc1 |
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| InChI Key | OIJCDEDMMCZLNJ-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 | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbenzene and substituted derivativesbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidealcoholhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundorganooxygen compound |
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