Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:23 UTC |
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Update Date | 2025-03-21 18:35:06 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103934 |
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Frequency | 26.1 |
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Structure | |
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Chemical Formula | C13H13N3O |
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Molecular Mass | 227.1059 |
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SMILES | CC(=O)NCCc1c[nH]c2cc(C#N)ccc12 |
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InChI Key | YERQNFFBUNWFGS-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organoheterocyclic compounds |
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Class | indoles and derivatives |
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Subclass | indoles |
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Direct Parent | indoles |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | acetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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Substituents | carbonyl groupnitrileazacycleindoleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileacetamideorganooxygen compound |
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