| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:36 UTC |
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| Update Date | 2025-03-25 00:52:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195725 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO5S |
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| Molecular Mass | 287.0827 |
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| SMILES | CC1Cc2cc(O)c(OS(=O)(=O)O)cc2CCN1C |
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| InChI Key | VZYCDUVQNWMLFP-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 | benzazepines |
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| Subclass | benzazepines |
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| Direct Parent | benzazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsarylsulfatesazacyclic compoundsazepinesbenzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesterstrialkylamines |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesazacycletertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundbenzazepinesulfuric acid esteraminetertiary amineorganooxygen compound |
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