| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:06 UTC |
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| Update Date | 2025-03-21 18:34:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100734 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C12H7NO4 |
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| Molecular Mass | 229.0375 |
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| SMILES | O=c1oc2cc(O)ccc2c2nccc(O)c12 |
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| InChI Key | JTNMOSPQMLQFBO-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 | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactonesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyranones and derivativesvinylogous acids |
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| Substituents | 1-benzopyranpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidlactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compound2-halopyridineorganoheterocyclic compoundbenzopyranazacycleheteroaromatic compoundhydroxypyridinecoumarinoxacyclevinylogous acidpyridineorganic oxygen compoundpyranhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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