| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:37 UTC |
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| Update Date | 2025-03-21 18:39:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126116 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C12H12O7 |
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| Molecular Mass | 268.0583 |
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| SMILES | O=C(O)CCc1ccc(O)c(OC(=O)CC(=O)O)c1 |
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| InChI Key | YXUYSLPYEXEQLH-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 | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesphenol estersphenoxy compoundstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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