| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:59 UTC |
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| Update Date | 2025-03-21 17:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008430 |
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| Frequency | 581.6 |
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| Structure | |
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| Chemical Formula | C11H10BrNO3 |
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| Molecular Mass | 282.9844 |
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| SMILES | O=C(O)C(O)Cc1c[nH]c2ccc(Br)cc12 |
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| InChI Key | DBMTXJCGWPFLAZ-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 | alpha hydroxy acids and derivativesaryl bromidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-hydroxy acidcarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundhydroxy acidaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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