| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:14 UTC |
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| Update Date | 2025-03-21 18:28:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074712 |
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| Frequency | 39.7 |
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| Structure | |
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| Chemical Formula | C17H19NO8 |
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| Molecular Mass | 365.1111 |
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| SMILES | COC(=O)C1OC(OC(=O)Cc2c[nH]c3ccccc23)C(O)C(O)C1O |
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| InChI Key | DCICCJQPYNGCGE-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 compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmethyl estersmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | carbonyl groupindoleo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidemethyl esteracetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidoxacyclepyrancarboxylic acid esterpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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