| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:34 UTC |
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| Update Date | 2025-03-21 18:36:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109302 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C9H12O4S |
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| Molecular Mass | 216.0456 |
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| SMILES | COc1cc(CCS(=O)O)ccc1O |
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| InChI Key | HCPBILJAEVAVQI-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 benzenoidsalkanesulfinic acids and derivativesalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfur compoundsphenoxy compoundssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moietyethersulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundmethoxybenzenesulfinic acidaromatic homomonocyclic compoundalkanesulfinic acid or derivativesorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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