| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:26 UTC |
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| Update Date | 2025-03-25 00:54:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206781 |
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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 | O=C(O)C(=O)CCC(Cc1ccccc1)C(=O)O |
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| InChI Key | CUDHLZKLIPHNNZ-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 ketonesalpha-keto acids and derivativesbenzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundmedium-chain keto acid |
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