| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:38 UTC |
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| Update Date | 2025-03-25 00:57:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225788 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25NO9 |
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| Molecular Mass | 399.1529 |
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| SMILES | CC(=O)NC1C(OCC(Cc2cccc(O)c2)C(=O)O)OC(CO)C(O)C1O |
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| InChI Key | TXDUHMQILSSQJW-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 compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylpropanoic acidsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativen-acyl-alpha-hexosamineorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcohol1-hydroxy-4-unsubstituted benzenoidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativessecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compound |
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