| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:13 UTC |
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| Update Date | 2025-03-21 18:38:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122854 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C17H22O12 |
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| Molecular Mass | 418.1111 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OOC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | VDDWNRJZLTYSFH-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesperoxycarboxylic acids and derivativespyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxideperoxycarboxylic acid or derivativesoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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