| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:11 UTC |
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| Update Date | 2025-03-21 18:04:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053185 |
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| Frequency | 60.9 |
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| Structure | |
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| Chemical Formula | C12H11NO5 |
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| Molecular Mass | 249.0637 |
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| SMILES | O=C(O)C(O)(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | JXZIGEVDMGWKNM-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 | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidazacycleindolealpha-hydroxy acidheteroaromatic compoundhydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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