| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:46 UTC |
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| Update Date | 2025-03-25 00:53:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200756 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O10 |
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| Molecular Mass | 384.1056 |
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| SMILES | COc1cccc(C(=O)CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | URKSJVSHGJFYSB-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 | acetalsalkyl aryl ethersalkyl-phenylketonesanisolesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersgamma-keto acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenephenylketonegamma-keto acidbutyrophenoneoxacyclefatty acid esterpyrananisoleketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketonearyl ketone |
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