| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:35 UTC |
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| Update Date | 2025-03-25 00:46:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154866 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O6 |
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| Molecular Mass | 300.0634 |
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| SMILES | COc1ccc(-c2cc3c(O)cc(O)cc3c(=O)o2)cc1O |
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| InChI Key | OYWMKUSEKLEOPW-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 benzenoids1-hydroxy-4-unsubstituted benzenoids2-benzopyransalkyl aryl ethersanisolesheteroaromatic compoundshydrocarbon derivativeslactonesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidisocoumarinmethoxybenzeneoxacycleorganic oxygen compoundpyrananisole2-benzopyranphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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