| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:49 UTC |
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| Update Date | 2025-03-25 01:01:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251304 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H9NO3 |
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| Molecular Mass | 263.0582 |
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| SMILES | O=c1oc2cnc3ccc(O)cc3c2c2ccccc12 |
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| InChI Key | MLHFTOJBFGPRFD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | isocoumarins and derivatives |
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| Subclass | isocoumarins and derivatives |
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| Direct Parent | isocoumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-benzopyrans2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolineslactonesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyranones and derivativespyranopyridines |
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| Substituents | polyhalopyridine1-hydroxy-2-unsubstituted benzenoidlactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyranonequinolineorganopnictogen compound2-halopyridineorganoheterocyclic compoundbenzopyranazacycleheteroaromatic compoundhydroxypyridineisocoumarinhydroxyquinolineoxacyclepyridineorganic oxygen compoundpyran2-benzopyranhydrocarbon derivativebenzenoidorganic nitrogen compoundpyranopyridineorganooxygen compound |
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