| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:50 UTC |
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| Update Date | 2025-03-21 18:03:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045382 |
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| Frequency | 74.3 |
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| Structure | |
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| Chemical Formula | C16H16O9S |
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| Molecular Mass | 384.0515 |
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| SMILES | O=S(=O)(O)OC1Cc2cc(O)cc(O)c2OCC1c1ccc(O)c(O)c1 |
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| InChI Key | MARUWLAAUBFUNJ-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 | benzoxepines |
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| Subclass | benzoxepines |
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| Direct Parent | benzoxepines |
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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 sulfatesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivativesbenzoxepine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatesulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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