| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:55 UTC |
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| Update Date | 2025-03-25 00:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219661 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H16O10 |
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| Molecular Mass | 404.0743 |
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| SMILES | COc1cc2c(cc1O)c(=O)oc1cc(OC3OC(C(=O)O)C(O)C3O)ccc12 |
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| InChI Key | ZGAYXXULKHNMSK-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 | 1,2-diols1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundspyranones and derivativessecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneorganoheterocyclic compound1,2-diolalcoholbenzopyrantetrahydrofuranheteroaromatic compoundhydroxy acidisocoumarincoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisole2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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