| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:46 UTC |
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| Update Date | 2025-03-21 18:41:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135805 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C18H21NO3 |
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| Molecular Mass | 299.1521 |
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| SMILES | COc1ccc2c(c1)CCNC2Cc1ccc(OC)c(O)c1 |
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| InChI Key | NYGNBPLXMNXERU-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 | isoquinolines and derivatives |
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| Subclass | benzylisoquinolines |
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| Direct Parent | benzylisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsdialkylamineshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganopnictogen compoundsphenoxy compoundstetrahydroisoquinolines |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsecondary aliphatic amineazacycle1-hydroxy-4-unsubstituted benzenoidsecondary aminemethoxybenzenebenzylisoquinolineorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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