| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:20 UTC |
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| Update Date | 2025-03-21 18:02:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036971 |
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| Frequency | 95.4 |
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| Structure | |
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| Chemical Formula | C6H8O6 |
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| Molecular Mass | 176.0321 |
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| SMILES | O=C(O)CC(C(=O)O)C(=O)CO |
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| InChI Key | MWCQSZOHJKLRHW-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalcohols and polyolsalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesshort-chain keto acids and derivatives |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidbeta-keto acidgamma-keto acidketonesaccharideorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acid1,3-dicarbonyl compoundorganooxygen compound |
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