| 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 | DMID02183186 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O5 |
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| Molecular Mass | 224.0685 |
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| SMILES | O=C(OC1OCC(O)C1O)c1ccccc1 |
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| InChI Key | UGNMXCQDENXTMA-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholaromatic heteromonocyclic compoundtetrahydrofuranbenzoylmonosaccharidebenzoate estercarboxylic acid derivativeoxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound1,2-diol |
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