| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:05 UTC |
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| Update Date | 2025-03-21 18:03:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045956 |
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| Frequency | 73.1 |
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| Structure | |
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| Chemical Formula | C15H15NO6 |
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| Molecular Mass | 305.0899 |
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| SMILES | O=C(O)CCC(OC(=O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | NQAHTYNSMVOAIB-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidazacycleindoleheteroaromatic compoundtricarboxylic acid or derivativescarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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