| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:29 UTC |
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| Update Date | 2025-03-25 00:47:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159079 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O5 |
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| Molecular Mass | 280.1059 |
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| SMILES | OCC1OC(Oc2ccc3[nH]cnc3c2)CC(O)C1O |
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| InChI Key | PCLBYQGSQQQTBS-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 | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersprimary alcoholssecondary alcohols |
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| Substituents | alcoholphenol etherazacycleheteroaromatic compoundmonosaccharideoxacyclesaccharideorganic oxygen compoundacetalaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundoxaneprimary alcoholorganooxygen compoundazole |
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