| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:14 UTC |
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| Update Date | 2025-03-25 00:48:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167578 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H35N3O7S |
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| Molecular Mass | 545.2196 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 |
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| InChI Key | MHZNFJUEFOZWHE-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 | aminosulfonyl compoundsamphetamines and derivativesazacyclic compoundscarbamate esterscarbonyl compoundscarboxylic acids and derivativesdialkyl ethershydrocarbon derivativesindolesindolineslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl groupetherlactamindoleorganosulfur compoundcarboxylic acid derivativedialkyl etherorganosulfonic acid amideorganic oxidephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindoleorganoheterocyclic compoundamphetamine or derivativesalcoholcarbonic acid derivativeazacycleaminosulfonyl compoundtetrahydrofuranindole or derivativescarbamic acid estercarboxamide groupoxacyclesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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