| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:48 UTC |
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| Update Date | 2025-03-25 00:59:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235154 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O |
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| Molecular Mass | 229.1215 |
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| SMILES | Cc1ccc(-c2c[nH]c(CN)c2C(N)=O)cc1 |
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| InChI Key | VTSJZNLYYWJBKX-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 derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidestoluenesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amidemonocyclic benzene moietyaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundtolueneorganooxygen compound |
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