| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:57 UTC |
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| Update Date | 2025-03-25 00:48:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166972 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24O10 |
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| Molecular Mass | 412.1369 |
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| SMILES | CC(=O)c1ccc(CC(O)CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | ADFJZVYIIWYWMJ-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 | acetalsacetophenonesalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalacetophenoneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidphenylketoneoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidalkyl-phenylketonearyl ketone |
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