| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:32 UTC |
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| Update Date | 2025-03-25 00:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239029 |
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| Frequency | 0.5 |
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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=CC(O)C(O)C(OC(=O)Cc1ccccc1)C(O)C(=O)O |
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| InChI Key | JGVDGJPERFLLMZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxyaldehydesbenzene and substituted derivativesbeta-hydroxy aldehydescarbocyclic fatty acidscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietybeta-hydroxy aldehydecarbonyl groupcarboxylic acidglucuronic acid or derivativesalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidealpha-hydroxyaldehydemedium-chain fatty acidhydroxy fatty acidalcoholaldehydehydroxy acidaromatic homomonocyclic compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid |
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