| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:13 UTC |
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| Update Date | 2025-03-25 00:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236074 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H14O8 |
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| Molecular Mass | 370.0689 |
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| SMILES | COc1ccc(C2CC(=O)c3c(oc(=O)c4cc(O)c(O)cc34)O2)cc1O |
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| InChI Key | VUXCISANQUNLKD-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 ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativeslactonesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidisocoumarinmethoxybenzeneoxacycleorganic oxygen compoundpyrananisole2-benzopyranphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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