| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:15 UTC |
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| Update Date | 2025-03-21 18:31:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086686 |
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| Frequency | 32.9 |
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| Structure | |
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| Chemical Formula | C10H11NO4 |
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| Molecular Mass | 209.0688 |
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| SMILES | COC(=O)C1Cc2cc(O)c(O)cc2N1 |
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| InChI Key | JQFIYBUMSYATMC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundshydrocarbon derivativesindolecarboxylic acidsindolesindolinesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupindole1-hydroxy-2-unsubstituted benzenoidorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindoleorganoheterocyclic compoundindolecarboxylic acid derivativealpha-amino acid esterazacycleindole or derivativessecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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