| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:56 UTC |
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| Update Date | 2025-03-21 17:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010681 |
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| Frequency | 439.2 |
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| Structure | |
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| Chemical Formula | C21H16O11 |
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| Molecular Mass | 444.0693 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(c2)oc(=O)c2c4ccc(O)cc4oc32)C(O)C(O)C1O |
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| InChI Key | WZEVWRLYSSTZNT-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 | isoflavonoids |
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| Subclass | coumestans |
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| Direct Parent | coumestans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsacetalsangular furanocoumarinsbenzofuransbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfuransfuropyransglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | furanphenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholfuranocoumarinbenzopyranpyran carboxylic acid or derivativesbenzofuranheteroaromatic compoundhydroxy acidfuropyrancoumarinangular furanocoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholcoumestanhydrocarbon derivativebenzenoidorganooxygen compound |
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