| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:22 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225247 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O2 |
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| Molecular Mass | 181.0851 |
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| SMILES | CC(=O)c1cn(C)c(C(N)=O)c1N |
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| InChI Key | GXHKNAHWGMGWIF-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 alkyl ketonesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesprimary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | primary carboxylic acid amiden-methylpyrrolearyl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativessubstituted pyrrolecarboxylic acid derivative2-heteroaryl carboxamideketoneorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrole-2-carboxamidevinylogous amideazacycleheteroaromatic compoundcarboxamide grouporganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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