| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:32 UTC |
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| Update Date | 2025-03-25 00:51:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188860 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N3O4 |
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| Molecular Mass | 307.1532 |
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| SMILES | CC(O)C(NC(O)C(N)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | NXHHUNISHSVNBL-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 acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylamineshemiaminalsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidamino acidindolehemiaminalbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalkanolaminealcoholsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativeshydroxy acidsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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