| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:01:40 UTC |
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| Update Date | 2025-03-24 16:37:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00918254 |
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| Frequency | 1.6 |
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| Structure | |
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| Chemical Formula | C7H5NO2 |
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| Molecular Mass | 135.032 |
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| SMILES | Oc1ccc2cnoc2c1 |
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| InChI Key | OBSZDVDXNVEDKQ-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 | 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 derivativesisoxazolesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | azacycleheteroaromatic compoundbenzisoxazoleisoxazole1-hydroxy-2-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
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