| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:30 UTC |
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| Update Date | 2025-03-21 18:35:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104207 |
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| Frequency | 26.0 |
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| Structure | |
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| Chemical Formula | C11H12O7 |
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| Molecular Mass | 256.0583 |
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| SMILES | O=C(O)C1OOC(Oc2ccccc2)C(O)C1O |
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| InChI Key | JRUATAHUQUKOMC-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 ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1,2-dioxanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl peroxideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundhydroxy acidcarboxylic acid derivativeoxacyclebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compounddialkyl peroxidesecondary alcoholhydrocarbon derivativephenoxy compoundortho-dioxaneorganoheterocyclic compoundorganooxygen compound1,2-diol |
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