| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:42:36 UTC |
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| Update Date | 2025-03-24 22:19:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01160418 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C5H6NO2+ |
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| Molecular Mass | 112.0393 |
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| SMILES | O=CCc1c[nH]c[o+]1 |
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| InChI Key | AWISEWIIOQQSIP-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 | alpha-hydrogen aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundoxazolealdehydeoxacycleorganic oxideorganic oxygen compoundalpha-hydrogen aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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