| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:09 UTC |
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| Update Date | 2025-03-25 00:48:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169659 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O3S |
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| Molecular Mass | 228.082 |
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| SMILES | CCc1ccc(C(C)C)c(S(=O)(=O)O)c1 |
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| InChI Key | CCBXAKZCOWYIRI-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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