| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:40 UTC |
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| Update Date | 2025-03-25 00:52:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195869 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O4 |
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| Molecular Mass | 224.1049 |
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| SMILES | CC1=C(C(=O)C(O)C(=O)O)C(C)(C)CC=C1 |
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| InChI Key | MZLJBGJBPQSWCT-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 | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonecarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidehydroxy acidcarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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