| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:11 UTC |
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| Update Date | 2025-03-25 00:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238257 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22O14 |
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| Molecular Mass | 426.101 |
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| SMILES | O=C(O)CCC(O)(CC(=O)O)CC(=O)OCOC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | KFFHLUJLPDRKGL-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstertiary alcoholstetracarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetracarboxylic acid or derivativeshydroxy acidoxacyclefatty acid estertertiary alcoholpyrancarboxylic acid estersecondary alcoholhydrocarbon derivative |
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