| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:39 UTC |
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| Update Date | 2025-03-21 18:40:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131002 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C13H14O7 |
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| Molecular Mass | 282.074 |
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| SMILES | O=C(O)CCC(OC(=O)Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | FFSZZGURBMLXMN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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