| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:59 UTC |
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| Update Date | 2025-03-21 18:31:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088371 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C7H10N2O |
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| Molecular Mass | 138.0793 |
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| SMILES | Cc1cc(C(N)=O)n(C)c1 |
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| InChI Key | HBNUJRWVRLYOGK-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 carboxamidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidessubstituted pyrroles |
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| Substituents | primary carboxylic acid amiden-methylpyrrolearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolecarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepyrrole-2-carboxamideorganic nitrogen compoundorganooxygen compound |
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