| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:31:56 UTC |
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| Update Date | 2025-03-24 14:28:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00847585 |
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| Frequency | 1.7 |
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| Structure | |
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| Chemical Formula | C6H5NO3 |
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| Molecular Mass | 139.0269 |
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| SMILES | O=C(O)C=Cc1ncco1 |
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| InChI Key | LAGHCCNIKUMZQM-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 | oxazoles |
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| Direct Parent | oxazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundoxazolecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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