| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:12 UTC |
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| Update Date | 2025-03-21 18:32:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088853 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C17H18O8S |
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| Molecular Mass | 382.0722 |
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| SMILES | COc1ccc(C2Oc3cc(O)cc(S(=O)O)c3CC(O)C2O)cc1O |
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| InChI Key | LFFCQTWWRHLPNE-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 ethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moietyethersulfinic acid derivativebenzoxepine1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compound1,2-diolalcohol1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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