| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:04 UTC |
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| Update Date | 2025-03-25 00:50:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183218 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O9 |
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| Molecular Mass | 314.0638 |
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| SMILES | O=C(Oc1ccc(O)cc1)C1OC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | WZBQCJXUDQDIRJ-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxidehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyrancarboxylic acid esterphenol estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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