| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:17 UTC |
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| Update Date | 2025-03-21 18:31:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084407 |
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| Frequency | 34.0 |
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| Structure | |
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| Chemical Formula | C19H21NO9 |
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| Molecular Mass | 407.1216 |
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| SMILES | O=C1CCC(Cc2c[nH]c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc23)O1 |
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| InChI Key | XOLDYZGIPBPEAC-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 | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyrrolessecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidindoleo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycletetrahydrofuranheteroaromatic compoundindole or derivativeshydroxy acidgamma butyrolactoneoxacyclepyrancarboxylic acid esterpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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