| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:39 UTC |
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| Update Date | 2025-03-25 00:46:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155025 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O3 |
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| Molecular Mass | 206.0943 |
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| SMILES | CC(=O)C(CCc1ccccc1)C(=O)O |
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| InChI Key | TVOXRLLJIUPGJP-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 compoundsbenzene and substituted derivativesbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundorganooxygen compound |
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