| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:11 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240528 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O3 |
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| Molecular Mass | 182.0691 |
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| SMILES | O=C1OCCC1(O)Cn1ccnc1 |
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| InChI Key | WPDHEUNHTOLJNI-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 | azoles |
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| Subclass | imidazoles |
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| Direct Parent | n-substituted imidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstertiary alcoholstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundn-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactoneoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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