| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:00 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160178 |
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| Frequency | 0.5 |
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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 | Nc1ccccc1C(=O)NCc1cccnc1 |
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| InChI Key | VQCAHUSKECKWPX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyridines and derivativessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | aromatic heteromonocyclic compoundamino acid or derivativesbenzoylcarboxylic acid derivativebenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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