| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:40 UTC |
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| Update Date | 2025-03-25 00:52:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195882 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO3 |
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| Molecular Mass | 245.1052 |
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| SMILES | CC1=C(C(=O)c2ccccc2)CCC(C(=O)O)N1 |
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| InChI Key | MRBAUSUNCGCQSG-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaryl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstetrahydropyridinesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidbenzoylketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic amineazacycletetrahydropyridinesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminearyl ketone |
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