| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:20 UTC |
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| Update Date | 2025-03-25 00:54:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N2O4 |
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| Molecular Mass | 302.1267 |
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| SMILES | O=C(O)C(CCN1CCC1C(=O)O)c1c[nH]c2ccccc12 |
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| InChI Key | RKTMBDSTJTXACP-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsazacyclic compoundsazetidinecarboxylic acidsazetidinesbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundspyrrolestrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidindoleazetidinecarboxylic acidorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic amineindole or derivativesamino fatty acidazetidineorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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