| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:59 UTC |
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| Update Date | 2025-03-21 17:57:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010792 |
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| Frequency | 433.9 |
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| Structure | |
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| Chemical Formula | C6H8N2O |
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| Molecular Mass | 124.0637 |
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| SMILES | Cn1ccc(C(N)=O)c1 |
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| InChI Key | ADBKBBXQJATDDG-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 | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amiden-methylpyrrolearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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