| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:06 UTC |
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| Update Date | 2025-03-21 18:28:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074388 |
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| Frequency | 39.9 |
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| Structure | |
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| Chemical Formula | C7H12O8 |
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| Molecular Mass | 224.0532 |
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| SMILES | CC(O)(C(=O)O)C(O)C(O)C(O)C(=O)O |
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| InChI Key | NQUKPDAXLFCKNG-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 | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl-branched fatty acidsmonosaccharidesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglucuronic acid or derivativesalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholmethyl-branched fatty acidhydroxy acidbranched fatty acidtertiary alcoholsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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