| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:52 UTC |
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| Update Date | 2025-03-21 18:33:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095266 |
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| Frequency | 29.1 |
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| Structure | |
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| Chemical Formula | C7H12O6 |
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| Molecular Mass | 192.0634 |
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| SMILES | CC(CC(O)C(O)C(=O)O)C(=O)O |
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| InChI Key | SCZMIAQAMZRFLI-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmethyl-branched fatty acidsmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidsaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acid1,2-diolalcoholmethyl-branched fatty acidbranched fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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