| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:50 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180410 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20O11 |
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| Molecular Mass | 436.1006 |
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| SMILES | COc1cc2c(cc1O)c(=O)oc1cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc12 |
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| InChI Key | HXUKJTIWJPUUNF-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransacetalsalkyl aryl ethersanisolesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyranones and derivativessecondary alcohols |
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| Substituents | phenol etherether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl etherlactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneprimary alcoholorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundisocoumarincoumarinoxacycleorganic oxygen compoundpyrananisole2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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