| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:39:01 UTC |
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| Update Date | 2025-03-21 22:52:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00578049 |
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| Frequency | 2.8 |
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| Structure | |
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| Chemical Formula | C7H6NO2+ |
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| Molecular Mass | 136.0393 |
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| SMILES | Oc1cccc2[nH]c[o+]c12 |
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| InChI Key | VIAYAWCABRXVFC-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 | benzoxazoles |
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| Subclass | benzoxazoles |
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| Direct Parent | benzoxazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
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| Substituents | azacyclebenzoxazoleheteroaromatic compoundoxazole1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compoundazole |
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