| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:04 UTC |
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| Update Date | 2025-03-21 18:07:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069522 |
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| Frequency | 43.4 |
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| Structure | |
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| Chemical Formula | C10H6N2O2 |
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| Molecular Mass | 186.0429 |
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| SMILES | N#Cc1ccc2[nH]cc(C(=O)O)c2c1 |
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| InChI Key | PQKDHLJDXYCJRJ-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 compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acidsvinylogous amides |
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| Substituents | nitrilecarboxylic acidpyrrole-3-carboxylic acid or derivativesindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundcarbonitrileindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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