| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:44 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237250 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8ClNO4 |
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| Molecular Mass | 241.0142 |
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| SMILES | O=C(O)c1cc2c(cc1Cl)CC(C(=O)O)N2 |
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| InChI Key | WIOFFJSFJCQZQI-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 compoundsalpha amino acidsamino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesindolesindolinesorganic oxidesorganochloridesorganopnictogen compoundssecondary alkylarylaminesvinylogous halides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindoleorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compounddihydroindolearyl chlorideazacyclesecondary aminevinylogous halidesecondary aliphatic/aromatic aminearyl halideorganic oxygen compoundindolecarboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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