| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:53 UTC |
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| Update Date | 2025-03-21 18:38:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119708 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C6H10O6 |
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| Molecular Mass | 178.0477 |
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| SMILES | O=CC(C(=O)O)C(O)C(O)CO |
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| InChI Key | FLJJWGRAEJXJIS-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsbeta-hydroxy aldehydesbranched fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidaldehydecarboxylic acid derivativebranched fatty acidbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acid1,3-dicarbonyl compoundprimary alcoholorganooxygen compound |
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