| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:13 UTC |
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| Update Date | 2025-03-21 18:33:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096146 |
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| Frequency | 28.8 |
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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)c1cc(O)cc2c1CC(O)C(O)C(c1ccc(O)c(O)c1)O2 |
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| InChI Key | SLYIOBXYMZSHLI-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 ethersbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundssecondary alcoholssulfinic acids |
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| Substituents | alcoholmonocyclic benzene moietyethersulfinic acid derivativebenzoxepine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound1,2-diol |
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