| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:48 UTC |
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| Update Date | 2025-03-25 00:56:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217065 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | CCCC(C(=O)O)C(=O)CO |
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| InChI Key | OGEQVOFGRCMYAY-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 compoundsalcohols and polyolsalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxides |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidmonosaccharideshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidbeta-keto acidketonesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehydroxy fatty acid1,3-dicarbonyl compoundorganooxygen compound |
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