| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:39:45 UTC |
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| Update Date | 2025-03-24 22:10:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02014099 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | O=CCC(O)C=CC(=O)O |
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| InChI Key | CCDXQGICCYMQNI-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 | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain 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 acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsunsaturated fatty acids |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupbeta-hydroxy aldehydecarboxylic acidfatty acidaldehydecarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydesecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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