| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:27 UTC |
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| Update Date | 2025-03-25 01:01:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248151 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O5 |
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| Molecular Mass | 250.0841 |
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| SMILES | Cc1ccccc1C(=O)CC(CC(=O)O)C(=O)O |
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| InChI Key | NOPCRXNXCIJWNH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzoyl derivativesbranched fatty acidsbutyrophenonescarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesmedium-chain keto acids and derivativesorganic oxidestoluenes |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylcarboxylic acid derivativeorganic oxidebranched fatty acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidtoluenealkyl-phenylketonemedium-chain keto acid |
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