| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:14 UTC |
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| Update Date | 2025-03-25 00:47:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162969 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H26O13 |
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| Molecular Mass | 546.1373 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1C(C(=O)O)OC(Oc2ccc(CC3CCC(=O)O3)cc2O)C(O)C1O |
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| InChI Key | HBFMWEUNGNJNCZ-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 glycosidescarbonyl compoundscarboxylic acidsenoate estersfatty acid estersgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivativeslactone1-o-glucuronidealpha,beta-unsaturated carboxylic estercinnamic acid or derivativessaccharideorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolenoate esteralcoholpyran carboxylic acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonehydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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