| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:14 UTC |
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| Update Date | 2025-03-25 00:50:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179041 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO8 |
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| Molecular Mass | 355.1267 |
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| SMILES | COc1ccc(C=CC(=O)NC2C(O)OC(CO)C(O)C2O)cc1O |
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| InChI Key | PTWGERMCFLVHTF-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 | acylaminosugars |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativesn-acyl-alpha-hexosaminecinnamic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidcarboxamide groupmethoxybenzenehydroxycinnamic acidacylaminosugaroxacyclesecondary carboxylic acid amideanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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