| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:22 UTC |
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| Update Date | 2025-03-25 00:45:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151974 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10N3O3+ |
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| Molecular Mass | 232.0717 |
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| SMILES | NC(=O)c1ncc(-c2ccc(O)cc2)[o+]c1N |
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| InChI Key | FIDCQHQQYRWMCI-UHFFFAOYSA-O |
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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 | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino acids and derivativesazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietyaromatic heteromonocyclic compoundamino acid or derivatives1-hydroxy-2-unsubstituted benzenoid2-heteroaryl carboxamideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundoxacycleorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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