| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:44 UTC |
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| Update Date | 2025-03-25 00:53:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O8S |
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| Molecular Mass | 382.0722 |
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| SMILES | COS(=O)(=O)Oc1cc(O)cc(CC2CCc3c(O)cc(O)cc3O2)c1 |
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| InChI Key | NHDXEGMWEPNDSQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesarylsulfateshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid diesters |
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| Substituents | monocyclic benzene moietyetherorganic sulfuric acid or derivatives1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxideorganic oxygen compoundsulfuric acid diesteraromatic heteropolycyclic compoundalkyl sulfatephenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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