| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:05 UTC |
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| Update Date | 2025-03-21 18:03:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043540 |
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| Frequency | 78.0 |
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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 | O=C(O)CCC(=O)OC(Cc1ccccc1)C(=O)O |
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| InChI Key | JHVGEBIFRVUAMC-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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