| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:06 UTC |
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| Update Date | 2025-03-21 17:58:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013417 |
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| Frequency | 333.4 |
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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 | O=C(O)CC(O)(C(=O)O)C(O)C(O)CO |
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| InChI Key | XTTMKGQMJSTZLP-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 | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonosaccharidesorganic oxidesprimary alcoholssecondary alcoholstertiary 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 acidprimary alcoholalcoholbranched fatty acidtertiary alcoholorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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