| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:49 UTC |
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| Update Date | 2025-03-21 18:31:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087981 |
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| Frequency | 32.3 |
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| Structure | |
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| Chemical Formula | C9H10O5 |
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| Molecular Mass | 198.0528 |
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| SMILES | O=C(Oc1ccc(O)cc1)C(O)CO |
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| InChI Key | QBGCDKRBKNSAAA-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 homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcoholssugar acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideglyceric_acidprimary alcohol1,2-diolalcoholhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol estersecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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