| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:57:15 UTC |
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| Update Date | 2025-03-24 21:24:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01771150 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C7H6NO2+ |
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| Molecular Mass | 136.0393 |
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| SMILES | Oc1ccc2[o+][nH]cc2c1 |
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| InChI Key | VOYCDLKIXUZEPD-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 | benzisoxazoles |
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| Subclass | benzisoxazoles |
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| Direct Parent | benzisoxazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesisoxazolesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | azacycleheteroaromatic compoundbenzisoxazoleisoxazole1-hydroxy-2-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compoundazole |
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