| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:42 UTC |
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| Update Date | 2025-03-25 00:50:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180114 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H30O14 |
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| Molecular Mass | 590.1636 |
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| SMILES | COc1cc(C=CC(=O)OC2C(Oc3c(O)cc(CC4CCC(=O)O4)cc3OC)OC(C(=O)O)C(O)C2O)ccc1O |
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| InChI Key | CDDVXTFSCGGIIG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersalkyl glycosidesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsenoate estersfatty acid estersgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarboxylic acidmethoxyphenolo-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidsaccharideacetaloxaneorganoheterocyclic compound1,2-diolenoate esteralcoholmethoxybenzenefatty acid esteranisolecarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativeslactonecinnamic acid or derivativesorganic oxidepyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonehydroxycinnamic acidoxacycleorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compoundalkyl glycoside |
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