| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:50:18 UTC |
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| Update Date | 2025-03-21 21:59:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00462351 |
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| Frequency | 3.8 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | O=C=CC(=O)CCC(=O)O |
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| InChI Key | JIPPOXXHSKQABU-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 compoundscarboxylic acidsenonesgamma-keto acids and derivativeshydrocarbon derivativesketenesketonesmonocarboxylic acids and derivativesorganic oxidesynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativegamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeacryloyl-groupketeneorganooxygen compoundenonemedium-chain keto acid |
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