| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:28 UTC |
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| Update Date | 2025-03-25 00:54:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204604 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O4 |
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| Molecular Mass | 280.1423 |
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| SMILES | O=Cc1ccc(CO)n1CCCCN1CCC1C(=O)O |
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| InChI Key | WJFJSJGXSLZBIM-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 acidsaromatic alcoholsaryl-aldehydesazacyclic compoundsazetidinecarboxylic acidsazetidinescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssubstituted pyrrolestrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidazetidinecarboxylic acidsubstituted pyrroleorganic oxidearyl-aldehydealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundtertiary aliphatic aminealdehydeazetidinemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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