| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:19:41 UTC |
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| Update Date | 2025-03-25 01:23:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02384645 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | O=C(O)C(O)C(=O)C1CC1 |
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| InChI Key | JWQOKUVPJACMJJ-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 | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | beta-hydroxy ketonecarbocyclic fatty acidcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidehydroxy fatty acidalcoholhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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