| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:52 UTC |
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| Update Date | 2025-03-25 00:50:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182765 |
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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 | O=c1oc2cc(OC3C(CO)OC(CO)C(O)C3O)ccc2c2ccc(O)cc12 |
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| InChI Key | WTXKVOYHHFVMGY-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-benzopyransalkyl aryl ethersdialkyl ethersheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersprimary alcoholspyranones and derivativessecondary alcohols |
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| Substituents | phenol etherether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl etherdialkyl etherlactonesaccharideorganic oxidearomatic heteropolycyclic compoundpyranoneoxaneprimary alcoholorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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