| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:17 UTC |
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| Update Date | 2025-03-25 00:51:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185972 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O5 |
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| Molecular Mass | 224.0685 |
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| SMILES | O=C(CO)c1ccc(CC(O)C(=O)O)cc1 |
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| InChI Key | OXOGRPXPDGFPTP-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 | alpha hydroxy acids and derivativesaryl alkyl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanoic acidssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidalpha-hydroxy acidbenzoylhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidalkyl-phenylketone |
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