| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:26 UTC |
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| Update Date | 2025-03-21 18:00:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029975 |
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| Frequency | 188.3 |
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| Structure | |
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| Chemical Formula | C10H9NO3 |
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| Molecular Mass | 191.0582 |
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| SMILES | O=C(O)C1Cc2ccccc2C(O)=N1 |
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| InChI Key | YXSGIZSINDRUBG-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 | dihydroisoquinolines |
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| Subclass | dihydroisoquinolines |
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| Direct Parent | dihydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic aciddihydroisoquinolineazacycleorganic 1,3-dipolar compoundalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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