| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:39 UTC |
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| Update Date | 2025-03-21 18:37:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116780 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C9H12O4 |
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| Molecular Mass | 184.0736 |
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| SMILES | O=C(O)C(=O)CC1(O)C=CCCC1 |
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| InChI Key | LCJQIHZYWKUPME-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 | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonecarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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