| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:12 UTC |
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| Update Date | 2025-03-25 00:57:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11BrN2O |
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| Molecular Mass | 254.0055 |
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| SMILES | NCCc1c[nH]c2c(Br)cc(O)cc12 |
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| InChI Key | BKXGPXJUDKUHIF-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl bromidesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesm-bromophenolsmonoalkylaminesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrroles |
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| Substituents | azacycleindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundaryl halideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganobromideorganopnictogen compound3-bromophenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaryl bromideorganooxygen compound |
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