| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:17 UTC |
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| Update Date | 2025-03-21 18:41:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132473 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C9H15NO4 |
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| Molecular Mass | 201.1001 |
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| SMILES | CCC=CC(O)CCC(=NO)C(=O)O |
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| InChI Key | TWAINEXZBGTKCB-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 acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsketoximesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidketoximecarboxylic acid derivativeamino fatty acidmedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganic nitrogen compoundorganooxygen compound |
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