| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:34 UTC |
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| Update Date | 2025-03-25 00:59:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239089 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | NC(=O)CCC1NCCc2cc(O)c(O)cc21 |
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| InChI Key | KCLLKOKIZIHAKB-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 benzenoidsamino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylaminesfatty amideshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylsecondary aliphatic aminecarbonyl groupazacycleamino acid or derivativesfatty amide1-hydroxy-2-unsubstituted benzenoidsecondary aminecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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