| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:26 UTC |
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| Update Date | 2025-03-21 18:36:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108972 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C13H10NO4+ |
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| Molecular Mass | 244.0604 |
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| SMILES | Oc1ccc2[o+]c(-c3ccc(O)c(O)c3)[nH]c2c1 |
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| InChI Key | UMMNTDCSEOZYEO-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 compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
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| Substituents | monocyclic benzene moietyazacyclebenzoxazoleheteroaromatic compoundoxazole1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compoundazole |
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