| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:16 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250006 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N2O+ |
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| Molecular Mass | 205.1335 |
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| SMILES | C[N+](C)(C)C(=Cc1ccccc1)C(N)=O |
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| InChI Key | RMWYGZDXQXCSBH-UHFFFAOYSA-O |
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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 acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativescinnamic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsprimary carboxylic acid amidesquaternary ammonium salts |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl groupalpha-amino acid amidequaternary ammonium saltcarboxamide grouparomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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