| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:16 UTC |
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| Update Date | 2025-03-25 00:54:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204163 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H10NO4+ |
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| Molecular Mass | 256.0604 |
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| SMILES | Oc1ccc(-c2cnc3cc(O)cc(O)c3[o+]2)cc1 |
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| InChI Key | OZPHFIBOYCCGDS-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 benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietyazacycleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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