| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:34 UTC |
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| Update Date | 2025-03-25 00:58:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232308 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3 |
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| Molecular Mass | 223.1208 |
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| SMILES | CCC(O)C1NCCc2cc(O)c(O)cc21 |
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| InChI Key | IUEKWLGPBGIADI-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 benzenoidsazacyclic compoundsbenzenoidsdialkylamineshydrocarbon derivativesorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholsecondary aliphatic amineazacycle1-hydroxy-2-unsubstituted benzenoidsecondary amineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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