| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:32 UTC |
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| Update Date | 2025-03-21 18:35:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106741 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C13H10NO2+ |
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| Molecular Mass | 212.0706 |
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| SMILES | Oc1ccc(-c2[nH]c3ccccc3[o+]2)cc1 |
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| InChI Key | CFMVGXPEIVNCPJ-UHFFFAOYSA-O |
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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 | benzoxazoles |
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| Subclass | benzoxazoles |
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| Direct Parent | benzoxazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
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| Substituents | monocyclic benzene moietyazacyclebenzoxazoleheteroaromatic compoundoxazole1-hydroxy-2-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compoundazole |
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