| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:28 UTC |
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| Update Date | 2025-03-21 18:02:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039627 |
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| Frequency | 87.7 |
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| Structure | |
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| Chemical Formula | C13H14O6 |
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| Molecular Mass | 266.079 |
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| SMILES | CC(=O)OC(=O)CC(O)(Cc1ccccc1)C(=O)O |
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| InChI Key | DGEUEOACHXPZCQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid anhydridescarboxylic acidshydrocarbon derivativesorganic oxidestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid anhydridehydrocarbon derivativebenzenoidorganooxygen compound |
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