| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:06 UTC |
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| Update Date | 2025-03-21 18:03:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046015 |
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| Frequency | 73.0 |
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| Structure | |
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| Chemical Formula | C9H6ClNO2 |
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| Molecular Mass | 195.0087 |
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| SMILES | O=C(O)c1cc2ccc(Cl)cc2[nH]1 |
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| InChI Key | BKPSJOSKWKTWAG-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 chloridesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivatives |
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| Substituents | carboxylic acidindoleorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundaryl chlorideindolecarboxylic acid derivativeazacycleheteroaromatic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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