| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:47 UTC |
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| Update Date | 2025-03-21 18:39:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126545 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C13H10NO+ |
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| Molecular Mass | 196.0757 |
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| SMILES | c1ccc(-c2[nH]c3ccccc3[o+]2)cc1 |
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| InChI Key | LYWCGUHWQGBWNV-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 | benzoxazoles |
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| Direct Parent | benzoxazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
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| Substituents | monocyclic benzene moietyazacyclebenzoxazoleheteroaromatic compoundoxazoleoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compoundazole |
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