| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:06:35 UTC |
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| Update Date | 2025-03-21 22:09:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00500956 |
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| Frequency | 3.4 |
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| Structure | |
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| Chemical Formula | C5H6O4 |
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| Molecular Mass | 130.0266 |
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| SMILES | O=C(O)C(=O)C=CCO |
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| InChI Key | NQCOHZOKLYGXBP-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 | acryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativeacryloyl-groupprimary alcoholorganooxygen compoundenone |
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