| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:51 UTC |
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| Update Date | 2025-03-21 18:29:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078650 |
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| Frequency | 37.2 |
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| Structure | |
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| Chemical Formula | C11H12O6 |
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| Molecular Mass | 240.0634 |
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| SMILES | O=C1CC(O)C(Cc2cc(O)c(O)c(O)c2)O1 |
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| InChI Key | FFFKZXLXDMUHSV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and 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 derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativelactonesaccharideorganic oxideorganoheterocyclic compoundalcoholpyrogallol derivativetetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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