| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:41 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200576 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O7S |
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| Molecular Mass | 348.0304 |
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| SMILES | COS(=O)(=O)c1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 |
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| InChI Key | CEDPOXGNMFSYQB-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 | hydroxyflavonoids |
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| Direct Parent | 5-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids7-hydroxyflavonoidsarylsulfonic acids and derivativesbenzenesulfonate estersbenzenesulfonyl compoundschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersoxacyclic compoundspyranones and derivativessulfonylsvinylogous acids |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietybenzenesulfonate ester1-benzopyran1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzenesulfonyl groupbenzopyranheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidorganosulfonic acid esteroxacyclevinylogous acidsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyran7-hydroxyflavonoidhydrocarbon derivativebenzenoidorganooxygen compound |
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