| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:16 UTC |
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| Update Date | 2025-03-25 00:54:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206419 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O6 |
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| Molecular Mass | 348.1321 |
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| SMILES | NC(CCCC(=O)OC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
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| InChI Key | IKQRFUGOXVAYDM-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindoletricarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesfatty acid esterorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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