| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:40 UTC |
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| Update Date | 2025-03-25 00:51:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186906 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H13NO6S |
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| Molecular Mass | 335.0464 |
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| SMILES | NS(=O)(=O)c1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1 |
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| InChI Key | JQCWGRXMBOUHMO-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 | flavonoids |
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| Subclass | flavans |
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| Direct Parent | flavanones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersaminosulfonyl compoundsaryl alkyl ketonesbenzenesulfonamidesbenzenesulfonyl compoundschromoneshydrocarbon derivativesorganic nitrogen compoundsorganic oxidesorganosulfonamidesoxacyclic compoundsvinylogous acids |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyetheraryl alkyl ketone1-benzopyranflavanone1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundketoneorganosulfonic acid amideorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzenesulfonyl groupbenzopyranbenzenesulfonamideaminosulfonyl compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivatives7-hydroxyflavonoidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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