Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:29 UTC |
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Update Date | 2025-03-21 18:35:09 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104176 |
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Frequency | 26.0 |
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Structure | |
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Chemical Formula | C10H11NO3 |
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Molecular Mass | 193.0739 |
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SMILES | O=C(O)C1NCCc2cc(O)ccc21 |
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InChI Key | WQTOOVAQGWLHKC-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 | tetrahydroisoquinolines |
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Subclass | tetrahydroisoquinolines |
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Direct Parent | tetrahydroisoquinolines |
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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 acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundsecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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