| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:15 UTC |
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| Update Date | 2025-03-25 00:50:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183606 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO8 |
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| Molecular Mass | 353.1111 |
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| SMILES | O=C1Nc2ccccc2CCC1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | QSBVJXCRNWMHMS-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 compoundsazepinesbenzazepinesbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesazepinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepine |
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