| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:51 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157685 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18N2O8 |
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| Molecular Mass | 378.1063 |
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| SMILES | O=C(O)CCC(OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
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| InChI Key | YYIAPFNMLGUJHO-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 | azacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidazacycleindoleheteroaromatic compoundindole or derivativescarbamic acid estertricarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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