| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:41 UTC |
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| Update Date | 2025-03-21 18:06:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066160 |
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| Frequency | 46.2 |
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| Structure | |
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| Chemical Formula | C12H12BrNO2 |
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| Molecular Mass | 281.0051 |
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| SMILES | CC(Cc1c[nH]c2ccc(Br)cc12)C(=O)O |
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| InChI Key | YHCVVXZXIHTRIT-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 compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleindoleheteroaromatic compoundcarboxylic acid derivativeorganohalogen compoundaryl halideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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