| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:27 UTC |
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| Update Date | 2025-03-25 00:46:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154568 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N2O4S |
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| Molecular Mass | 362.13 |
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| SMILES | COc1ccc(C2(CCCN)OCc3ccc(S(N)(=O)=O)cc32)cc1 |
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| InChI Key | HRUMHGXRXJSPPW-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 | alkyl aryl ethersaminosulfonyl compoundsanisolesdialkyl ethershydrocarbon derivativesisocoumaransmethoxybenzenesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativesetheralkyl aryl etherorganosulfur compounddialkyl etherorganosulfonic acid amideorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundaminosulfonyl compoundmethoxybenzeneoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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