| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:05 UTC |
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| Update Date | 2025-03-25 00:56:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220073 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N3O2 |
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| Molecular Mass | 193.0851 |
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| SMILES | COC(=O)CCc1c[nH]c2nc[nH]c12 |
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| InChI Key | SMKGHKABMUAMDM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupazacycleheteroaromatic compoundcarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundaromatic heteropolycyclic compoundimidazolecarboxylic acid esterpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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