| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:38 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179954 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O6S |
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| Molecular Mass | 350.0824 |
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| SMILES | COc1cc(CCC(=O)Cc2cc(O)cc(S(=O)O)c2)ccc1O |
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| InChI Key | ZCWPYQDKBAQFHD-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesorganosulfur compoundsphenoxy compoundssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethersulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundmethoxybenzenesulfinic acidketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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