| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:50 UTC |
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| Update Date | 2025-03-25 00:51:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189567 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H37N3O6S |
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| Molecular Mass | 567.2403 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COCc2ccccc21)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | PDXNJPAARDXQAN-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 heteropolycyclic compounds |
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| Alternative Parents | 2-benzopyransaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundscarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsprimary aminessecondary alcohols |
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| Substituents | organosulfonic acid or derivativescarbonyl groupetherorganosulfur compounddialkyl etherorganosulfonic acid amideorganic oxidephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisochromaneorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholbenzopyrancarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundcarbamic acid esteroxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivatives2-benzopyransecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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