| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:32 UTC |
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| Update Date | 2025-03-21 18:04:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049432 |
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| Frequency | 66.7 |
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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 | COC(=O)C(O)C(O)C(O)C(O)C(=O)O |
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| InChI Key | GRRUXFKYWCJHGB-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 derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl estersmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglucuronic acid or derivativesalpha-hydroxy acidmonosaccharidecarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxidemethyl estermedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acidfatty acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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