| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:32 UTC |
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| Update Date | 2025-03-21 18:28:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070601 |
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| Frequency | 42.6 |
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| Structure | |
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| Chemical Formula | C18H21NO6S |
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| Molecular Mass | 379.109 |
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| SMILES | COc1ccc2c3c1OC1C(OS(=O)(=O)O)C=CC4C(C2)N(C)CCC341 |
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| InChI Key | JIYGLXDCNSTUSY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | morphinans |
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| Subclass | morphinans |
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| Direct Parent | morphinans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl sulfatesanisolesazacyclic compoundscoumaranshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenanthrenes and derivativespiperidinessulfuric acid monoesterstetralinstrialkylamines |
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| Substituents | tetralinphenol ethersulfuric acid monoesteretheralkyl aryl etherorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundcoumaranphenanthreneorganic sulfuric acid or derivativesazacycletertiary aliphatic amineoxacycleorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid estermorphinanamineorganooxygen compound |
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