| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:54 UTC |
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| Update Date | 2025-03-21 18:28:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071480 |
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| Frequency | 42.0 |
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| Structure | |
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| Chemical Formula | C6H10O4 |
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| Molecular Mass | 146.0579 |
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| SMILES | CCC(=O)C(CO)C(=O)O |
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| InChI Key | TUWIXZAZQGCNAQ-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 | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsbeta hydroxy acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain keto acidhydroxy acidcarboxylic acid derivativebranched fatty acidbeta-keto acidketonebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehydroxy fatty acid1,3-dicarbonyl compoundprimary alcoholorganooxygen compound |
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