| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:21 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O11 |
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| Molecular Mass | 374.0849 |
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| SMILES | O=C(O)C(OC1C(O)CC(O)(C(=O)O)CC1O)c1cc(O)c(O)c(O)c1 |
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| InChI Key | XRRRDXVJNXBXKD-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 | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzyletherscarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidespyrogallols and derivativestertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidbenzyletheralpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativedialkyl etherorganic oxidepyrogallol derivativebenzenetriolcyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundtertiary alcoholsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidquinic acid |
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