| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:46 UTC |
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| Update Date | 2025-03-21 18:01:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030789 |
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| Frequency | 120.5 |
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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 | CN1c2cc(O)c(O)cc2CC1C(=O)O |
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| InChI Key | YDDMZQNZIUUZDN-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylarylamineshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindole1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineazacyclemonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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