| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:50 UTC |
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| Update Date | 2025-03-25 01:00:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO2 |
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| Molecular Mass | 219.1259 |
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| SMILES | CCCCC(C)=Nc1ccc(C(=O)O)cc1 |
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| InChI Key | TVSODWDHSPWYNC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminecarboxylic acidiminebenzoylorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundsecondary ketimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganooxygen compound |
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