| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:35 UTC |
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| Update Date | 2025-03-21 17:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007497 |
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| Frequency | 673.5 |
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| Structure | |
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| Chemical Formula | C12H13BrN2O |
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| Molecular Mass | 280.0211 |
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| SMILES | CC(=O)NCCc1c[nH]c2ccc(Br)cc12 |
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| InChI Key | GLPQMYRAWZFYFL-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 | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesaryl bromidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupindolecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundacetamideazacycleheteroaromatic compoundcarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrroleorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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