| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:53 UTC |
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| Update Date | 2025-03-25 00:47:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159955 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O10S |
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| Molecular Mass | 400.0464 |
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| SMILES | O=S(=O)(O)Oc1cc(C2Oc3cc(O)cc(O)c3CC(O)C2O)ccc1O |
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| InChI Key | HKOSESQALBHDJE-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretherbenzoxepine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherphenylsulfateorganic oxidearomatic heteropolycyclic compoundarylsulfate1,2-diolalcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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