| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:32 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202471 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15NO4 |
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| Molecular Mass | 285.1001 |
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| SMILES | O=C(O)c1ccc(C2NCCc3cc(O)c(O)cc32)cc1 |
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| InChI Key | XOLHBSQWZCKWCG-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 | 1-phenyltetrahydroisoquinolines |
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| Direct Parent | 1-phenyltetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivative1-phenyltetrahydroisoquinolineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzoic acidsecondary aliphatic amineazacyclebenzoic acid or derivativessecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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