| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:25 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199909 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N4O4 |
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| Molecular Mass | 278.1015 |
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| SMILES | Cn1cnc2c1c(C#N)cn2C1OC(CO)C(O)C1O |
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| InChI Key | DHILDEDADZZTCW-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | nitrilemonosaccharidesubstituted pyrrolesaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholcarbonitrilen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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