| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:42 UTC |
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| Update Date | 2025-03-21 18:37:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114491 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C14H12O9S |
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| Molecular Mass | 356.0202 |
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| SMILES | O=S(=O)(O)OC1Cc2cc(O)cc(O)c2Oc2cc(O)cc(O)c21 |
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| InChI Key | XJWRTZFLIGJPLH-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzenoidsdiarylethershydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | diaryl ethersulfuric acid monoesteretherorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatesulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterdibenzoxepineorganooxygen compound |
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