| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:47:14 UTC |
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| Update Date | 2025-03-21 20:03:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00312993 |
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| Frequency | 6.3 |
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| Structure | |
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| Chemical Formula | C6H6NO3+ |
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| Molecular Mass | 140.0342 |
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| SMILES | O=C(O)C=Cc1c[nH]c[o+]1 |
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| InChI Key | FFFTVTJLQBZERH-UHFFFAOYSA-O |
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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 cationsorganic 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 compoundorganic cationorganooxygen compound |
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