| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:57 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219730 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H36N2O8S |
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| Molecular Mass | 548.2192 |
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| SMILES | COC(=O)c1ccccc1S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1 |
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| InChI Key | VLSMTEHFXQCXBD-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 | aminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acid estersbenzoyl derivativescarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl groupetheraromatic heteromonocyclic compoundbenzoylbenzoate esterorganosulfur compoundcarboxylic acid derivativedialkyl etherorganosulfonic acid amideorganic oxidephenylbutylaminemethyl esterorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholcarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundtetrahydrofurancarbamic acid esterbenzoic acid or derivativesoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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