| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:38 UTC |
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| Update Date | 2025-03-21 17:59:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018967 |
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| Frequency | 217.2 |
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| Structure | |
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| Chemical Formula | C9H7NO2 |
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| Molecular Mass | 161.0477 |
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| SMILES | O=C(O)c1cccc2[nH]ccc12 |
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| InChI Key | ROGHUJUFCRFUSO-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 |
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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 derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carboxylic acidazacycleindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundindolecarboxylic acidpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganooxygen compound |
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