| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:12 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O8S |
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| Molecular Mass | 368.0566 |
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| SMILES | O=S(=O)(O)Oc1ccc(C2COc3cc(O)cc(O)c3CC2O)cc1 |
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| InChI Key | ZSFQMOPQFQEBBX-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 ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivativesbenzoxepine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherphenylsulfateoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholsulfate-esterhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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