| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:10 UTC |
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| Update Date | 2025-03-25 01:00:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245159 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N3O4S |
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| Molecular Mass | 287.094 |
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| SMILES | CN(CCCC(O)c1ccc(S(N)(=O)=O)cc1)N=O |
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| InChI Key | CRHVNJNFTFQNPY-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 | aminosulfonyl compoundsaromatic alcoholsbenzenesulfonamidesbenzenesulfonyl compoundshydrocarbon derivativesorganic n-nitroso compoundsorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary alcohols |
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| Substituents | aromatic alcoholorganosulfonic acid or derivativesorganosulfur compoundorganosulfonic acid amideorganic n-nitroso compoundorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupalcoholorganic nitroso compoundbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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