| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:06 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153745 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20O9 |
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| Molecular Mass | 404.1107 |
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| SMILES | COc1cccc2c1c(=O)oc1cc(OC3OC(CO)C(O)C(O)C3O)ccc12 |
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| InChI Key | QYXXTZJDINUJPO-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-benzopyrans2-benzopyransacetalsalkyl aryl ethersanisolesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyranones and derivativessecondary alcoholsvinylogous esters |
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| Substituents | phenol etherether1-benzopyranmonosaccharidealkyl aryl etherlactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneprimary alcoholorganoheterocyclic compoundalcoholbenzopyranvinylogous esterheteroaromatic compoundisocoumarincoumarinoxacycleorganic oxygen compoundpyrananisole2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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