| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:25 UTC |
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| Update Date | 2025-03-21 18:41:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134981 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C17H21NO9 |
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| Molecular Mass | 383.1216 |
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| SMILES | CC(=O)NC1C(OC(=O)C=Cc2ccc(O)c(O)c2)OC(CO)C(O)C1O |
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| InChI Key | BBEQVVSYZCCJLO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacetamidesbenzene and substituted derivativescarbonyl compoundsenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativehydroxycinnamic acid or derivativesn-acyl-alpha-hexosaminealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamideenoate esteralcohol1-hydroxy-4-unsubstituted benzenoidcarboxamide grouphydroxycinnamic acidoxacyclesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativescarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compound |
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