| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:36:47 UTC |
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| Update Date | 2025-03-21 18:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00149771 |
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| Frequency | 16.3 |
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| Structure | |
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| Chemical Formula | C6H9N3O |
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| Molecular Mass | 139.0746 |
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| SMILES | Cn1ccc(C(N)=O)c1N |
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| InChI Key | NHEIMZBOXPRBRM-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 | amino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesprimary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amiden-methylpyrrolearomatic heteromonocyclic compoundazacycleamino acid or derivativesheteroaromatic compoundsubstituted pyrrolecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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