| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:00 UTC |
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| Update Date | 2025-03-21 18:31:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088426 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C20H20NO11+ |
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| Molecular Mass | 450.1031 |
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| SMILES | OCC1OC(Oc2nc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O |
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| InChI Key | DDCUWEQYEZNUMX-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsacetalsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationoxaneprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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