| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:47 UTC |
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| Update Date | 2025-03-21 18:32:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090248 |
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| Frequency | 31.2 |
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| Structure | |
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| Chemical Formula | C6H10O5 |
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| Molecular Mass | 162.0528 |
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| SMILES | CC(C(=O)CO)C(O)C(=O)O |
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| InChI Key | PKDHCAJSHPGUKZ-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 | alpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta-hydroxy ketonescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain keto acids and derivatives |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha-hydroxy acidshort-chain keto acidhydroxy acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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