| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:15 UTC |
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| Update Date | 2025-03-21 18:39:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125221 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C12H7NO2 |
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| Molecular Mass | 197.0477 |
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| SMILES | O=c1oc2cnccc2c2ccccc12 |
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| InChI Key | XWRPXAXUMQIZMN-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 | 2-benzopyransazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyranones and derivativespyranopyridinespyridines and derivatives |
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| Substituents | benzopyranazacyclepolyhalopyridineheteroaromatic compoundisocoumarinlactoneoxacycleorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyranopyridineorganoheterocyclic compoundorganooxygen compound |
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