| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:18 UTC |
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| Update Date | 2025-03-25 00:57:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227267 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H37N3O7S |
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| Molecular Mass | 535.2352 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(OC1CCOC1)C(=O)O)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | RRIOUTXMUMJWMO-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 | alpha amino acidsamino acidsaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsdialkyl ethersdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativedialkyl etherorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholsecondary aliphatic aminebenzenesulfonamideaminosulfonyl compoundtetrahydrofuransecondary amineoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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