| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:24 UTC |
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| Update Date | 2025-03-21 17:58:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014094 |
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| Frequency | 313.7 |
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| Structure | |
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| Chemical Formula | C18H21NO4 |
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| Molecular Mass | 315.1471 |
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| SMILES | COc1cc(CC2c3cc(O)c(O)cc3CCN2C)ccc1O |
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| InChI Key | COOKCSFANQCJSE-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 benzenoidsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganopnictogen compoundsphenoxy compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheraralkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary amineazacycletertiary aliphatic aminemethoxybenzenebenzylisoquinolineorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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