| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:40 UTC |
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| Update Date | 2025-03-25 00:53:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202774 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO6 |
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| Molecular Mass | 239.043 |
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| SMILES | O=C(O)c1c(O)cc2c(c1O)NC(C(=O)O)C2 |
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| InChI Key | JDRTXAGGSVWVAK-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesindolesindolinesorganic oxidesorganopnictogen compoundssalicylic acid and derivativessecondary alkylarylaminesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindole1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compounddihydroindoleazacycle1-hydroxy-4-unsubstituted benzenoidsecondary aminesecondary aliphatic/aromatic aminehydroxybenzoic acidvinylogous acidorganic oxygen compoundsalicylic acid or derivativesindolecarboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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