| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:04 UTC |
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| Update Date | 2025-03-25 00:47:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164897 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO3 |
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| Molecular Mass | 183.0895 |
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| SMILES | CC(O)CCCC(=CC#N)C(=O)O |
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| InChI Key | DESIKXKDSDLGEQ-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 | amino fatty acidsbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidcarbonitrilealcoholamino fatty acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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