| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:27 UTC |
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| Update Date | 2025-03-21 18:38:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121041 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C16H21NO9 |
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| Molecular Mass | 371.1216 |
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| SMILES | COc1cc(CCC(N)=O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | YRVVPQBORZITAN-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty amidesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary carboxylic acid amidespyran carboxylic acidssecondary alcohols |
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| Substituents | primary carboxylic acid amidefatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundfatty amideo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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