| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:09 UTC |
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| Update Date | 2025-03-21 18:41:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132151 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | CC(C(=O)O)c1cccc(C(O)CC(=O)O)c1 |
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| InChI Key | BDMHAGONHLCORX-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 | aromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxideorganic oxygen compound2-phenylpropanoic-acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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