| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:12 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183514 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H10O8S |
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| Molecular Mass | 338.0096 |
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| SMILES | O=C(O)c1ccccc1C(=O)Oc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | MPRONFKHSLTNOR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | depsides and depsidones |
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| Subclass | depsides and depsidones |
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| Direct Parent | depsides and depsidones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acid estersbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenol estersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidbenzoylbenzoate estercarboxylic acid derivativephenylsulfateorganic oxidearylsulfate1-carboxy-2-haloaromatic compoundbenzoic acidorganic sulfuric acid or derivativesbenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compounddepside backbone |
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