| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:29 UTC |
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| Update Date | 2025-03-21 18:35:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106621 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C11H9NO5 |
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| Molecular Mass | 235.0481 |
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| SMILES | O=C(O)CC1C(O)=Nc2ccc(C(=O)O)cc21 |
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| InChI Key | ITNUJHUPCQFLFP-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 | 3-alkylindolesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscyclic carboximidic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleindole3-alkylindoleorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundindolecarboxylic acidorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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