| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:52 UTC |
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| Update Date | 2025-03-25 00:57:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226346 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | CC(O)C(=O)c1ccc(C(O)C(C)C(=O)O)cc1 |
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| InChI Key | CMMVTMHYUXBHPI-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 | acyloinsaromatic alcoholsaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanesphenylpropanoic acidssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoylcarboxylic acid derivativephenylpropanebeta-hydroxy acidorganic oxidealcoholhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesacyloinsecondary alcoholhydrocarbon derivativebenzenoidalkyl-phenylketone |
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