| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:30 UTC |
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| Update Date | 2025-03-25 00:54:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O12 |
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| Molecular Mass | 400.0642 |
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| SMILES | O=C1OC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)Cc2cc(O)cc(O)c21 |
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| InChI Key | JKTTZAPIJSCMMO-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-benzopyransacetalsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivativesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundisochromaneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidpyrancarboxylic acid ester2-benzopyransecondary alcoholhydrocarbon derivativebenzenoid |
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