| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:58:22 UTC |
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| Update Date | 2025-03-21 18:05:41 UTC |
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| HMDB ID | HMDB0142173 |
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| Metabolite Identification |
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| DeepMet ID | DMID00058309 |
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| Name | 2-benzyl-3-hydroxybutanedioic acid |
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| Frequency | 54.2 |
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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(O)C(O)C(Cc1ccccc1)C(=O)O |
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| InChI Key | SDRCJDXJFGYTRZ-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 derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidmonosaccharidehydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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