| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:13 UTC |
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| Update Date | 2025-03-25 00:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233765 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14NO4+ |
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| Molecular Mass | 272.0917 |
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| SMILES | C[n+]1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1 |
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| InChI Key | WUIKIJUZSJEBMN-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsvinylogous acids |
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| Substituents | etheraryl alkyl ketonen-methylpyridinium1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidpyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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