| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:23 UTC |
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| Update Date | 2025-03-25 00:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O7 |
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| Molecular Mass | 192.027 |
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| SMILES | CC(C(=O)O)C(=O)C(O)(O)C(=O)O |
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| InChI Key | CBUNFKKPTGXZLU-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 compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarbonyl hydratescarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsorganic oxides |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidcarbonyl hydratealpha-hydroxy acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxidehydroxy fatty acidmethyl-branched fatty acidhydroxy acidbranched fatty acidorganic oxygen compoundacyloindicarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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