| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:41 UTC |
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| Update Date | 2025-03-21 18:37:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116863 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C11H13BrN2 |
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| Molecular Mass | 252.0262 |
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| SMILES | NCCCc1c[nH]c2ccc(Br)cc12 |
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| InChI Key | MMVPOSHIIJONDU-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 | aryl bromidesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | azacycleindoleheteroaromatic compoundorganohalogen compoundaryl halidearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaryl bromide |
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