| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:49 UTC |
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| Update Date | 2025-03-25 00:57:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224069 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21NO11 |
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| Molecular Mass | 415.1115 |
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| SMILES | O=C(Cc1ccc(O)cc1)NCC(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | DKZBNECCIRPAGA-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 | 1-hydroxy-2-unsubstituted benzenoidsacetalsbeta amino acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylacetamidespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxanephenylacetamideorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupbeta amino acid or derivativesoxacyclesecondary carboxylic acid amidepyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compound |
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