| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:29 UTC |
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| Update Date | 2025-03-25 00:54:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204657 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O4 |
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| Molecular Mass | 212.0797 |
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| SMILES | O=C1OC(C(O)Cn2ccnc2)CC1O |
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| InChI Key | OVNWDFNQERNFCO-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 compoundssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundn-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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