| 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 | DMID02222651 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H16O8S |
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| Molecular Mass | 416.0566 |
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| SMILES | O=S(=O)(O)OC1c2ccc(O)cc2Oc2cc(O)ccc2C1c1ccc(O)cc1 |
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| InChI Key | JXTKVBAFZPTAPB-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 | dibenzoxepines |
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| Direct Parent | dibenzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativesdiarylethershydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | diaryl ethermonocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatesulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterdibenzoxepineorganooxygen compound |
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