| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:45 UTC |
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| Update Date | 2025-03-25 00:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235038 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO8S |
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| Molecular Mass | 383.0675 |
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| SMILES | O=S(=O)(O)Oc1c(O)cc(CC2NCCc3cc(O)c(O)cc32)cc1O |
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| InChI Key | CDXOUUJBVDWJPY-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 benzenoidsazacyclic compoundsdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatesresorcinolssulfuric acid monoesterstetrahydroisoquinolines |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidresorcinolphenylsulfateorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundarylsulfatesecondary aliphatic amineorganic sulfuric acid or derivativesazacycle1-hydroxy-4-unsubstituted benzenoidsecondary aminebenzylisoquinolineorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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