| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:58 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217448 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO5S |
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| Molecular Mass | 289.0984 |
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| SMILES | O=S(=O)(O)CCNCCCC(O)c1cccc(O)c1 |
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| InChI Key | IEUKPVWPPFZPSP-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary alcoholssulfonyls |
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| Substituents | aromatic alcoholorganosulfonic acid or derivativesorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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