| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:56 UTC |
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| Update Date | 2025-03-21 18:05:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054907 |
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| Frequency | 58.5 |
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| Structure | |
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| Chemical Formula | C10H8BrNO3 |
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| Molecular Mass | 268.9688 |
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| SMILES | O=C(O)CC1C(O)=Nc2ccc(Br)cc21 |
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| InChI Key | YMNPXOWZYMQCPR-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | 3-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl bromidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acid3-alkylindolecarboxylic acid derivativeorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleorganic 1,3-dipolar compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromidecyclic carboximidic acidorganooxygen compound |
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