| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:13 UTC |
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| Update Date | 2025-03-25 00:51:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188124 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N3O2+ |
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| Molecular Mass | 298.155 |
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| SMILES | CC(=O)NCCc1ccc(C[n+]2cccc(C(N)=O)c2)cc1 |
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| InChI Key | MOYKDECVWSEKFO-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationacetamidevinylogous amideazacycleheteroaromatic compoundmethylpyridinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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