| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:06 UTC |
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| Update Date | 2025-03-25 00:59:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238061 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25NO12 |
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| Molecular Mass | 459.1377 |
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| SMILES | O=C(O)CN=C(O)CCC(Cc1ccc(O)c(O)c1)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | RPXOEXMIWPDUKD-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 amino acidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespropargyl-type 1,3-dipolar organic compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidecarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidpropargyl-type 1,3-dipolar organic compound1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic 1,3-dipolar compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundalkyl glycoside |
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