| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:13 UTC |
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| Update Date | 2025-03-25 00:57:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227087 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O3S |
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| Molecular Mass | 256.1133 |
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| SMILES | CC(C)c1ccc(C(C)(C)C)cc1S(=O)(=O)O |
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| InChI Key | WDTWJTYYRVNXNC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscumeneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganosulfonic acidsphenylpropanessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietymonocyclic monoterpenoid1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidbenzenesulfonatep-cymeneorganosulfur compoundphenylpropanearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativescumenehydrocarbon derivativebenzenoidaromatic monoterpenoidbenzenesulfonyl group |
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