| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:49:52 UTC |
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| Update Date | 2025-03-25 01:12:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02315643 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H3NO3 |
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| Molecular Mass | 113.0113 |
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| SMILES | O=Cc1cc[n+]([O-])o1 |
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| InChI Key | XKMHFYPTITVTGT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesisoxazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazoleoxacycleorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundazole |
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