| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:30 UTC |
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| Update Date | 2025-03-25 00:46:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154682 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O5S |
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| Molecular Mass | 306.0562 |
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| SMILES | COc1ccc(C2Cc3ccc(O)cc3OS2(=O)=O)cc1 |
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| InChI Key | CZQWQOLTNSFOPC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethershydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfonic acid estersoxacyclic compoundsoxathiinsphenoxy compoundssulfonic acid esters |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethermethoxybenzene1,2-oxathiinorganosulfonic acid estersulfonic acid esteroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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