| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:50 UTC |
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| Update Date | 2025-03-25 00:51:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189568 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H23NO6S |
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| Molecular Mass | 333.1246 |
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| SMILES | CC(C)CN(CC(O)C(O)Cc1cccc(O)c1)S(=O)(=O)O |
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| InChI Key | KFQKNKBOAKJYMN-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 | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfuric acid monoamides |
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| Substituents | alcoholorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsulfuric acid monoamidesecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound1,2-diol |
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