| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:04 UTC |
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| Update Date | 2025-03-21 18:33:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095766 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C12H16O12 |
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| Molecular Mass | 352.0642 |
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| SMILES | O=C1OC(C(O)CO)C(O)=C1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | HJLLVDCLUKXLMH-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 derivativesbutenolidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estersglucuronic acid derivativeshydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholsvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidealpha,beta-unsaturated carboxylic ester2-furanonebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compounddihydrofuranenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclevinylogous acidpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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