| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:48 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O |
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| Molecular Mass | 179.1059 |
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| SMILES | NC(=O)c1c[nH]c(C2CCCN2)c1 |
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| InChI Key | KXMKKVPHXOLDFC-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 | amino acids and derivativesazacyclic compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolidinesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amidesecondary aliphatic aminearomatic heteromonocyclic compoundazacycleamino acid or derivativesheteroaromatic compoundsecondary aminecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganooxygen compoundamine |
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