| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:37 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O12 |
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| Molecular Mass | 388.0642 |
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| SMILES | O=C(O)C1OC(O)C(O)C(O)C1OC1(C(=O)O)Cc2c(O)cc(O)cc2O1 |
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| InChI Key | OBOFPCWFLMYBNS-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenoidscarbonyl compoundscarboxylic acidscoumaransdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesketalsmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxideacetalaromatic heteropolycyclic compoundketalhemiacetaloxaneorganoheterocyclic compoundcoumaran1,2-diolalcoholpyran carboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid |
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