| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:02 UTC |
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| Update Date | 2025-03-21 18:05:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055134 |
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| Frequency | 58.1 |
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| Structure | |
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| Chemical Formula | C9H10O6S |
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| Molecular Mass | 246.0198 |
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| SMILES | O=S(=O)(O)OC1Oc2ccccc2CC1O |
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| InChI Key | RCPZVMXSTOIWFB-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 | alkyl sulfatesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoesterorganic sulfuric acid or derivatives1-benzopyranoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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