| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:58 UTC |
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| Update Date | 2025-03-25 01:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253823 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H39N3O9S |
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| Molecular Mass | 581.2407 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CC(O)C(O)C(CO)O1)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | LPJZPQUTPNHXLW-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 | acetalsaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundscarbamate esterscarbonyl compoundshydrocarbon derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsoxanesprimary alcoholsprimary aminessecondary alcohols |
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| Substituents | organosulfonic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundmonosaccharideorganosulfur compoundorganosulfonic acid amidesaccharideorganic oxidephenylbutylamineacetalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholcarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundcarbamic acid esteroxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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