| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:44 UTC |
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| Update Date | 2025-03-21 18:05:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059159 |
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| Frequency | 53.2 |
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| Structure | |
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| Chemical Formula | C12H15NO2 |
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| Molecular Mass | 205.1103 |
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| SMILES | CC1c2cc3c(cc2CCN1C)OCO3 |
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| InChI Key | CELRAHVPTZYSAJ-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 | acetalsaralkylaminesazacyclic compoundsbenzenoidsbenzodioxoleshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | azacycletertiary aliphatic aminearalkylamineoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compoundbenzodioxole |
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