| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:23 UTC |
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| Update Date | 2025-03-21 18:31:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086970 |
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| Frequency | 32.7 |
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| Structure | |
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| Chemical Formula | C12H10N2O2 |
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| Molecular Mass | 214.0742 |
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| SMILES | N#Cc1ccc2[nH]cc(CCC(=O)O)c2c1 |
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| InChI Key | AKWJKNNOUSXOMQ-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupnitrilecarboxylic acidazacycleindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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