| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:57 UTC |
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| Update Date | 2025-03-21 18:30:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083659 |
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| Frequency | 34.4 |
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| Structure | |
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| Chemical Formula | C17H18O11S |
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| Molecular Mass | 430.057 |
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| SMILES | O=S(=O)(O)OCOc1cc(CC2Oc3cc(O)cc(O)c3CC2O)cc(O)c1O |
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| InChI Key | WTEUNCXTYKLFRK-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 sulfateshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundalkyl sulfatealcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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