| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:01 UTC |
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| Update Date | 2025-03-25 00:56:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219884 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24O9 |
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| Molecular Mass | 432.142 |
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| SMILES | COC(=O)C1OC(Oc2ccc(CCC(=O)c3ccc(O)cc3)cc2)C(O)C(O)C1O |
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| InChI Key | GGNWKAYEULVVNJ-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 | flavonoids |
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| Subclass | flavonoid glycosides |
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| Direct Parent | flavonoid o-glycosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonescinnamylphenolsglucuronic acid derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsretro-dihydrochalconessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparyl alkyl ketoneglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecinnamylphenolretro-dihydrochalconecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxidemethyl esteracetaloxaneorganoheterocyclic compoundalcohollinear 1,3-diarylpropanoidpyran carboxylic acid or derivativeshydroxy acidflavonoid o-glycosidephenylketonebutyrophenoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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