| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:33 UTC |
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| Update Date | 2025-03-21 18:28:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073059 |
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| Frequency | 40.8 |
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| Structure | |
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| Chemical Formula | C18H21NO7S |
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| Molecular Mass | 395.1039 |
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| SMILES | COc1cc2c(cc1O)C(Cc1ccc(OS(=O)(=O)O)c(O)c1)N(C)CC2 |
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| InChI Key | FUFVBQVTXKOFEA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isoquinolines and derivatives |
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| Subclass | benzylisoquinolines |
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| Direct Parent | benzylisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesterstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraralkylaminephenylsulfateorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundarylsulfatetertiary amineorganic sulfuric acid or derivativesazacycletertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidbenzylisoquinolineorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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