| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:04 UTC |
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| Update Date | 2025-03-25 00:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222345 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H28O14 |
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| Molecular Mass | 504.1479 |
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| SMILES | O=CC(O)C(O)C(OC1C(O)C(CO)OC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(O)CO |
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| InChI Key | LIPHUIGWQLFVCI-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl glycosidesalpha-hydroxyaldehydesbenzene and substituted derivativesbeta-hydroxy aldehydesdialkyl ethersenoate estersfatty acid estersfatty alcoholshydrocarbon derivativeshydroxycinnamic acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidemonocyclic benzene moietycarbonyl groupbeta-hydroxy aldehydeetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativedialkyl etherhydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativessaccharideorganic oxidealpha-hydroxyaldehydeacetalfatty alcoholoxaneprimary alcoholorganoheterocyclic compoundenoate esteralcoholaldehyde1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compoundalkyl glycoside |
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