| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:58 UTC |
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| Update Date | 2025-03-25 01:00:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242325 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H34N4O4S |
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| Molecular Mass | 510.2301 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)Cc1cccnc1)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | BYNFZWPLKILESO-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 heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesaminosulfonyl compoundsamphetamines and derivativesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidesulfonylpyridineorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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