| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:26 UTC |
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| Update Date | 2025-03-21 17:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00002472 |
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| Frequency | 2450.4 |
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| Structure | |
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| Chemical Formula | C10H10O3 |
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| Molecular Mass | 178.063 |
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| SMILES | O=C(O)C(=O)CCc1ccccc1 |
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| InChI Key | PPKAIMDMNWBOKN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compound |
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