| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:05 UTC |
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| Update Date | 2025-03-21 18:00:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026845 |
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| Frequency | 142.0 |
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| Structure | |
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| Chemical Formula | C9H10O8S |
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| Molecular Mass | 278.0096 |
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| SMILES | O=S(=O)(O)OC1Oc2cc(O)cc(O)c2CC1O |
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| InChI Key | JMZXMFLEYZPBMP-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 sulfatesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoesterorganic sulfuric acid or derivatives1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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