| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:36 UTC |
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| Update Date | 2025-03-21 18:05:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056439 |
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| Frequency | 56.5 |
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| Structure | |
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| Chemical Formula | C8H10O6S |
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| Molecular Mass | 234.0198 |
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| SMILES | Cc1cc(C(O)OS(=O)(=O)O)ccc1O |
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| InChI Key | OJWFPBBNFUPXPN-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 | cresols |
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| Direct Parent | ortho cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl sulfatesaromatic alcoholshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesterstoluenes |
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| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfateo-cresolsulfate-esterhydrocarbon derivativesulfuric acid estertolueneorganooxygen compound |
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