| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:12 UTC |
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| Update Date | 2025-03-21 18:37:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118115 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | O=C(O)C(=O)CC1CC1 |
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| InChI Key | PTITUAIFHMHRIH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbocyclic fatty acidcarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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