| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:22 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163264 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O8 |
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| Molecular Mass | 322.0689 |
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| SMILES | O=C(O)C1=CC(O)C(OC(=O)c2ccccc2C(=O)O)C(O)C1 |
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| InChI Key | XGNXPMVYZQXPDJ-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscyclitols and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholcarbonyl groupcarboxylic acidbenzoylcyclitol or derivativestricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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