Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:20:26 UTC |
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Update Date | 2025-03-21 18:36:35 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00111399 |
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Frequency | 23.9 |
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Structure | |
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Chemical Formula | C22H24O11 |
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Molecular Mass | 464.1319 |
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SMILES | COc1cc(CCC(=O)c2ccc(O)cc2OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O |
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InChI Key | FVCZZTYUJXPKAZ-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 aryl ethersalkyl-phenylketonesanisolesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonescarboxylic acidscinnamylphenolsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketoneglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidecinnamylphenolalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcohollinear 1,3-diarylpropanoidpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneflavonoid o-glycosidephenylketonebutyrophenoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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