| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:34 UTC |
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| Update Date | 2025-03-21 18:06:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065896 |
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| Frequency | 46.4 |
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| Structure | |
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| Chemical Formula | C14H16O8 |
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| Molecular Mass | 312.0845 |
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| SMILES | O=C(O)CC(=O)OC(=O)CCC(O)Cc1ccc(O)c(O)c1 |
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| InChI Key | BBDMROBINIKRDF-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid anhydridescarboxylic acidshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid anhydridesecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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