| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:08 UTC |
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| Update Date | 2025-03-21 18:07:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067234 |
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| Frequency | 45.3 |
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| Structure | |
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| Chemical Formula | C9H6BrNO |
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| Molecular Mass | 222.9633 |
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| SMILES | O=Cc1c[nH]c2ccc(Br)cc12 |
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| InChI Key | PEENKJZANBYXNB-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl bromidesaryl-aldehydesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | indolecarboxylic acid derivativevinylogous amideazacycleindoleheteroaromatic compoundaldehydeorganohalogen compoundaryl halideorganic oxidearyl-aldehydeorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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