| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:12 UTC |
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| Update Date | 2025-03-25 01:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254352 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO3 |
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| Molecular Mass | 169.0739 |
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| SMILES | CC(C)(C)C(O)=C(C#N)C(=O)O |
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| InChI Key | IVAQHKSXWHUDBD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativesunsaturated fatty acidsvinylogous acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidcarboxylic acid derivativebranched fatty acidunsaturated fatty acidvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativehydroxy fatty acidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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