| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:15:53 UTC |
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| Update Date | 2025-03-25 00:37:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02099614 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C39H60N2O23S |
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| Molecular Mass | 956.3308 |
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| SMILES | COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(COC2OC(CO)C(O)C(O)C2O)COC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)ccc1O |
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| InChI Key | WJCTUYXFIXMURI-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 benzenoidsacetalsalkyl aryl ethersalkyl glycosidesanisolesbeta amino acids and derivativescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundfatty amide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl etherorganosulfur compoundcarboxylic acid derivativehydroxycinnamic acid or derivativescarbothioic s-estercinnamic acid or derivativessaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholthiolactoneorganoheterocyclic compoundalcoholthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarboxamide groupmethoxybenzenen-acyl-aminebeta amino acid or derivativeshydroxycinnamic acidoxacyclesecondary carboxylic acid amideorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundalkyl glycoside |
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