| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:07 UTC |
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| Update Date | 2025-03-21 18:03:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043615 |
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| Frequency | 77.9 |
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| Structure | |
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| Chemical Formula | C7H5NO3 |
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| Molecular Mass | 151.0269 |
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| SMILES | O=c1oc2ccccc2n1O |
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| InChI Key | IBTMLLIZQZPSRX-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 | benzoxazoles |
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| Subclass | benzoxazolones |
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| Direct Parent | benzoxazolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
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| Substituents | carbonic acid derivativeazacycleheteroaromatic compoundoxazolebenzoxazoloneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
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