| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:36 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177608 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23NO11 |
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| Molecular Mass | 417.1271 |
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| SMILES | COc1cc(C(O)CNCC(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | GNMSZMKHCSTWAB-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 ethersalpha amino acidsamino acidsanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acido-glucuronidemonosaccharidealpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativeshydroxy acidsecondary aminemethoxybenzeneoxacyclepyrananisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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