| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:57 UTC |
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| Update Date | 2025-03-25 00:51:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187546 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | CC(C)(O)C#CCC(=O)O |
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| InChI Key | MQHVDNUWCNGMNT-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | branched fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidestertiary alcoholsynones |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidynonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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