| 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 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153020 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H6IN3O |
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| Molecular Mass | 250.9556 |
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| SMILES | NC(=O)c1[nH]cc(I)c1N |
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| InChI Key | AUYYJYAROQJTOD-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesamino acids and derivativesaryl iodidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganoiodidesorganooxygen compoundsorganopnictogen compoundsprimary aminesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeorganohalogen compound2-heteroaryl carboxamideorganoiodideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrole-2-carboxamidevinylogous amideazacycleheteroaromatic compoundcarboxamide grouparyl halideorganic oxygen compoundhydrocarbon derivativearyl iodideprimary amineorganic nitrogen compoundamineorganooxygen compound |
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