| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:16 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154134 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O3S |
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| Molecular Mass | 240.082 |
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| SMILES | COc1cc(CC2CSC(C)O2)ccc1O |
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| InChI Key | FLQAQMHKSXZQOT-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmonothioacetalsoxacyclic compoundsoxathiolanesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheroxathiolanearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenemonothioacetaloxacycleorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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