| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:12 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222640 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO8S |
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| Molecular Mass | 397.0831 |
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| SMILES | O=S(=O)(O)OCOc1cc(CC2NCCc3ccc(O)cc32)cc(O)c1O |
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| InChI Key | NUTWQOBBWFBHLT-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 sulfatesazacyclic compoundsdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundssulfuric acid monoesterstetrahydroisoquinolines |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsecondary 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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