| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:04 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178682 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O2 |
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| Molecular Mass | 168.0899 |
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| SMILES | Cn1ccc(C(N)=O)c1CCO |
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| InChI Key | JQBWNJZJDHRCAV-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 | alcohols and polyolsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | primary carboxylic acid amidealcoholvinylogous amiden-methylpyrrolearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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