| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:13 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222684 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9N2O3+ |
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| Molecular Mass | 229.0608 |
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| SMILES | O=c1[nH]c2ccc(-c3ccc(O)cc3)[o+]c2[nH]1 |
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| InChI Key | OYKVVVPQZQJPLX-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietycarbonic acid derivativeazacycleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compoundazole |
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