| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:12 UTC |
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| Update Date | 2025-03-25 00:56:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215675 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O4 |
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| Molecular Mass | 156.0423 |
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| SMILES | CCCC(=O)C(=C=O)C(=O)O |
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| InChI Key | HTDKJKHFYSPWTB-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativesketenesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acidsynolates |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidbeta-keto acidketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeacryloyl-groupketeneorganooxygen compoundenonemedium-chain keto acid |
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