| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:44 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219222 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H23NO8 |
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| Molecular Mass | 405.1424 |
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| SMILES | COc1ccc(Cc2ccc(N)cc2)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | YJKJTAMIWFHTHI-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 ethersamino acidsanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiphenylmethanesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary aminespyran carboxylic acidssecondary alcohols |
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| Substituents | diphenylmethanephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acido-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamine |
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