| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:22 UTC |
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| Update Date | 2025-03-25 00:48:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167866 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO2 |
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| Molecular Mass | 219.1259 |
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| SMILES | CC(C)CC1=NCCc2cc(O)c(O)cc21 |
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| InChI Key | AJIOYOULWFCXTN-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidshydrocarbon derivativesketiminesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | ketiminedihydroisoquinolineazacycleimine1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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