| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:42 UTC |
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| Update Date | 2025-03-21 18:41:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133401 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C14H13NO5 |
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| Molecular Mass | 275.0794 |
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| SMILES | Oc1cncc(C2Oc3cc(O)cc(O)c3CC2O)c1 |
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| InChI Key | UWPGLVNMWAVSJE-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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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 ethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessecondary alcohols |
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| Substituents | ether1-benzopyranpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidoxacyclepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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