| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:27 UTC |
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| Update Date | 2025-03-25 00:47:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158995 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N2O5+ |
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| Molecular Mass | 293.1132 |
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| SMILES | OCC1OC([n+]2cnc3ccccc3c2)C(O)C(O)C1O |
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| InChI Key | ODGANGRYHLHCFX-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 | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | quinazolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrimidines and pyrimidine derivativessecondary alcohols |
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| Substituents | alcoholazacycleheteroaromatic compoundmonosaccharidepyrimidineoxacyclesaccharideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationoxanequinazolineprimary alcoholorganooxygen compound |
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