| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:36 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161528 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO3 |
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| Molecular Mass | 191.0582 |
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| SMILES | NCc1coc(=O)c2ccc(O)cc12 |
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| InChI Key | LIZZOSAYJGTXNU-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-benzopyransbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidisocoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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