| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:21 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183819 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20O12 |
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| Molecular Mass | 452.0955 |
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| SMILES | O=C1CCC(Cc2cc(=O)oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)c(O)cc23)O1 |
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| InChI Key | YQMRPAFOLGMCJO-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 | coumarin glycosides |
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| Direct Parent | coumarin glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcoholstetrahydrofurans |
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| Substituents | coumarin-7-o-glycosidephenol ethercarbonyl groupcarboxylic acidcoumarin o-glycosideglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativestetrahydrofuranheteroaromatic compoundhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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