| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:51:59 UTC |
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| Update Date | 2025-03-25 00:26:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01328013 |
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| Frequency | 1.0 |
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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 | CC(=O)C=C(CO)C(=O)O |
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| InChI Key | KWKDZFQINNPUJW-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 | acryloyl compoundsalcohols and polyolsbranched fatty acidscarboxylic acidsenoneshydrocarbon derivativeshydroxy fatty acidsketonesmonocarboxylic acids and derivativesorganic oxidesshort-chain hydroxy acids and derivativesunsaturated fatty acids |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidketoneunsaturated fatty acidbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehydroxy fatty acidacryloyl-grouporganooxygen compoundenone |
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