| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:08 UTC |
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| Update Date | 2025-03-25 00:47:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H21N3O3 |
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| Molecular Mass | 363.1583 |
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| SMILES | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)C1CNc2ccccc2C1 |
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| InChI Key | VSGSFMLWJXMRMP-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolinesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolesquinoline-3-carboxamidessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidindoleorganic oxidearomatic heteropolycyclic compoundquinolineorganonitrogen compoundalpha-amino acidorganopnictogen compoundtetrahydroquinolineorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupbeta amino acid or derivativessecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundquinoline-3-carboxamide |
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