| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:33 UTC |
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| Update Date | 2025-03-21 17:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018777 |
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| Frequency | 219.7 |
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| Structure | |
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| Chemical Formula | C5H8O4 |
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| Molecular Mass | 132.0423 |
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| SMILES | O=CCC(O)CC(=O)O |
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| InChI Key | ZHBPKXTYCQYISG-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesbeta-hydroxy aldehydescarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidaldehydecarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydesecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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