| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:16 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185929 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12O6S |
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| Molecular Mass | 308.0355 |
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| SMILES | O=C(Cc1ccccc1)c1ccc(OS(=O)(=O)O)cc1O |
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| InChI Key | QGEYUNRZMQWZOM-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 | stilbenes |
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| Subclass | stilbenes |
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| Direct Parent | stilbenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidketonephenylsulfateorganic oxidearylsulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidphenylketonearomatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketoneorganooxygen compoundaryl ketonestilbene |
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