| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:53 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205563 |
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| Frequency | 0.5 |
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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 | NCCc1ccc(OS(=O)(=O)OC2Cc3cc(O)cc(O)c3CC2O)cc1 |
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| InChI Key | NQZWNWBLAYBJBV-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 | tetralins |
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| Subclass | tetralins |
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| Direct Parent | tetralins |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesarylsulfateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid diesters |
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| Substituents | alcoholtetralinmonocyclic benzene moietyorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfateorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativearylsulfateprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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