| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:56:48 UTC |
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| Update Date | 2025-03-24 21:51:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01911891 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C8H7NO |
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| Molecular Mass | 133.0528 |
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| SMILES | Cc1ccc2cnoc2c1 |
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| InChI Key | VZVAQLOROCVVSN-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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesisoxazolesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | azacycleheteroaromatic compoundbenzisoxazoleisoxazoleoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
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