| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:57 UTC |
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| Update Date | 2025-03-21 18:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035994 |
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| Frequency | 98.6 |
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| Structure | |
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| Chemical Formula | C11H12O8 |
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| Molecular Mass | 272.0532 |
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| SMILES | O=C(O)C1OC(Oc2c(O)cccc2O)C(O)C1O |
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| InChI Key | CXNLVNPDHPYMKQ-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 | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeresorcinolbeta-hydroxy acidsaccharideorganic oxideacetalorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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