| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:27 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163447 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO2 |
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| Molecular Mass | 207.1259 |
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| SMILES | C=CC1=C(C)C(=NCC(=O)O)CC1(C)C |
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| InChI Key | FNHFPHJMEUOMDD-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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