| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:48 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178082 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O4 |
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| Molecular Mass | 262.0954 |
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| SMILES | COC(=O)c1ccc2[nH]cc(CC(N)C(=O)O)c2c1 |
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| InChI Key | XEIXPJQJRZZJFW-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 | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmethyl estersmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundazacycleheteroaromatic compoundorganic oxygen compoundindolecarboxylic acidcarboxylic acid esterpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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