| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:17 UTC |
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| Update Date | 2025-03-25 00:53:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199626 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NO2 |
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| Molecular Mass | 211.0633 |
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| SMILES | Cc1ccc2c(c1)oc(=O)c1cccnc12 |
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| InChI Key | FIOUJLLHBCERJL-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-benzopyrans2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyranones and derivatives |
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| Substituents | benzopyranazacycle1-benzopyranpolyhalopyridineheteroaromatic compoundmethylpyridinecoumarinlactoneoxacycleorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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