| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:36 UTC |
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| Update Date | 2025-03-21 17:58:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016663 |
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| Frequency | 255.9 |
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| Structure | |
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| Chemical Formula | C20H28N2O4S |
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| Molecular Mass | 392.177 |
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| SMILES | CC(C)CN(CC(O)C(O)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | VCZNPCYJOFHELK-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-diolsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alcohols |
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| Substituents | organosulfonic acid or derivativesorganosulfur compoundorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compound1,2-diolbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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