| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:37 UTC |
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| Update Date | 2025-03-25 01:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O |
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| Molecular Mass | 150.0793 |
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| SMILES | Cn1ccc2c1C(=O)NCC2 |
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| InChI Key | LMPBEJNRWDIXKS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amidessubstituted pyrroles |
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| Substituents | n-methylpyrrolelactamazacycleheteroaromatic compoundsubstituted pyrrole2-heteroaryl carboxamidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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