| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:48 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153008 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14N3O+ |
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| Molecular Mass | 240.1131 |
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| SMILES | NC(=O)c1ccc[n+](C2CNc3ccccc32)c1 |
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| InChI Key | NMDSMEBRIDHQNJ-UHFFFAOYSA-O |
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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 | amino acids and derivativesazacyclic compoundsbenzenoidscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolinesnicotinamidesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alkylarylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesamino acid or derivativesindolenicotinamidecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationdihydroindolevinylogous amideazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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