| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:54 UTC |
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| Update Date | 2025-03-25 00:48:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166822 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O5S |
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| Molecular Mass | 306.0562 |
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| SMILES | CC(C(=O)c1ccc(S(=O)(=O)O)cc1)c1ccc(O)cc1 |
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| InChI Key | DQBQHAOEQCOPSY-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 | sulfonated stilbenes |
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| Direct Parent | sulfonated stilbenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsalkyl-phenylketonesaryl alkyl ketonesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidsphenylpropanessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaryl alkyl ketoneorganosulfonic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundketonephenylpropaneorganic oxidebenzenesulfonyl groupsulfonated stilbene1-sulfo,2-unsubstituted aromatic compoundphenylketonearomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidalkyl-phenylketoneorganooxygen compoundaryl ketone |
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