| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:00 UTC |
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| Update Date | 2025-03-25 00:53:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198964 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17N3O4 |
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| Molecular Mass | 315.1219 |
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| SMILES | N#Cc1ccc(C2(Cn3ccnc3)OC(CO)C(O)C2O)cc1 |
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| InChI Key | YUEVXZZOPSGQET-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzonitriles |
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| Direct Parent | benzonitriles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesn-substituted imidazolesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | ethernitrilearomatic heteromonocyclic compoundmonosaccharidedialkyl ethersaccharideimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholcarbonitrileorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundbenzonitrileoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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