| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:46 UTC |
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| Update Date | 2025-03-25 00:47:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161898 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H27NO13 |
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| Molecular Mass | 537.1482 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c4ccc(O)cc4n(C4OC(CO)C(O)C(O)C4O)c3c2)C(O)C(O)C1O |
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| InChI Key | PXEUJGQUBVXYCD-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbazolescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersprimary alcoholspyran carboxylic acidssecondary alcoholssubstituted pyrroles |
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| Substituents | phenol ethercarbonyl groupn-alkylindolecarboxylic acidindoleo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidesubstituted pyrrolecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidcarbazoleoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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