| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:33:56 UTC |
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| Update Date | 2025-03-24 14:28:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00852447 |
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| Frequency | 1.7 |
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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=CCCC(=O)C(=O)O |
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| InChI Key | NNKGRYDLIKLLMH-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 | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesketenesmonocarboxylic acids and derivativesorganic oxidesynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatealpha-keto acidhydrocarbon derivativeketeneorganooxygen compoundmedium-chain keto acid |
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