| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:30 UTC |
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| Update Date | 2025-03-21 18:33:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094410 |
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| Frequency | 29.5 |
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| Structure | |
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| Chemical Formula | C9H6BrNO2 |
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| Molecular Mass | 238.9582 |
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| SMILES | O=C(O)c1c[nH]c2cc(Br)ccc12 |
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| InChI Key | INNZWYJJSSRJET-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 | 1-carboxy-2-haloaromatic compoundsaryl bromidesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acidsvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativesindolecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroleorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromidepyrrole-3-carboxylic acidorganooxygen compound |
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