| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:09:40 UTC |
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| Update Date | 2025-03-24 22:31:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01226975 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C4H5NO2 |
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| Molecular Mass | 99.032 |
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| SMILES | Cc1cc[n+]([O-])o1 |
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| InChI Key | SFNLWYDVSMPAJL-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 derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazoleoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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