| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:49 UTC |
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| Update Date | 2025-03-25 00:47:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159799 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H7NO5S |
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| Molecular Mass | 253.0045 |
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| SMILES | O=c1nc(OS(=O)(=O)O)ccc2ccccc12 |
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| InChI Key | NSHCAAYOBNCZNQ-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 | arylsulfatesazacyclic compoundsazepinesbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxideazepineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundbenzazepinesulfuric acid esterorganooxygen compound |
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