| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:42 UTC |
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| Update Date | 2025-03-25 00:56:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216808 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H45N3O14 |
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| Molecular Mass | 719.2902 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC(=O)OCOC3OC(C(=O)O)C(O)C(O)C3O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | HPESPPZRNBMLCI-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 | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolespyrrolinessecondary alcoholssecondary carboxylic acid amidestetracarboxylic acids and derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundtetracarboxylic acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidepyrrolinepyrancarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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