| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:47 UTC |
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| Update Date | 2025-03-21 18:05:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056916 |
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| Frequency | 55.9 |
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| Structure | |
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| Chemical Formula | C18H22O9 |
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| Molecular Mass | 382.1264 |
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| SMILES | CC(C)Cc1ccc(C(=O)C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | IOXOIGQRKRWYBR-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 | acetalsalpha-keto acids and derivativesaryl ketonesbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenylpropanespyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketonephenylpropane1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalpha-keto acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyranketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidaryl ketone |
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