| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:40 UTC |
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| Update Date | 2025-03-25 00:47:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163949 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O3 |
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| Molecular Mass | 168.0786 |
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| SMILES | CC1=CC(C(=O)CC(=O)O)CC1 |
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| InChI Key | FERQLJWFAVDRGH-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 | beta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidcarboxylic acid derivativebeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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