| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:41:15 UTC |
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| Update Date | 2025-03-24 20:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01589177 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H7NO |
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| Molecular Mass | 109.0528 |
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| SMILES | C=Cc1cc(C)no1 |
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| InChI Key | OTWQLQKFCIZMFQ-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 | azoles |
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| Subclass | isoxazoles |
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| Direct Parent | isoxazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazoleoxacycleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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