| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:11 UTC |
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| Update Date | 2025-03-25 00:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N3O2 |
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| Molecular Mass | 275.1634 |
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| SMILES | CCC(Cc1c[nH]c2ccccc12)NC(=O)C(N)CO |
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| InChI Key | MSLDGTURUWUCNW-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 acid amides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrrolessecondary carboxylic acid amidesserine and derivatives |
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| Substituents | carbonyl groupindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholalpha-amino acid amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundserine or derivativesorganooxygen compound |
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