| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:50 UTC |
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| Update Date | 2025-03-21 18:36:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112356 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C18H23NO12 |
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| Molecular Mass | 445.122 |
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| SMILES | O=CC(O)C(O)C(CNC(=O)c1ccccc1O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | QAZCAKJWMNMKGU-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-hydroxyaldehydesbenzamidesbenzoyl derivativesbeta hydroxy acids and derivativesbeta-hydroxy aldehydescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssalicylamidessecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | fatty acyl glycoside of mono- or disaccharidemonocyclic benzene moietybeta-hydroxy aldehydecarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbenzamide1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydeacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesaldehydebenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsalicylamideoxacyclesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundalkyl glycoside |
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