| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:53 UTC |
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| Update Date | 2025-03-21 18:37:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117362 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C20H25NO3 |
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| Molecular Mass | 327.1834 |
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| SMILES | COc1ccc2c(c1)CCN(C)C2Cc1ccc(OC)c(OC)c1 |
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| InChI Key | UCGCNMZURUFVIF-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 | alkyl aryl ethersanisolesaralkylaminesazacyclic compoundsdimethoxybenzeneshydrocarbon derivativesorganopnictogen compoundsphenoxy compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetheralkyl aryl etheraralkylaminedimethoxybenzenearomatic heteropolycyclic compoundo-dimethoxybenzeneorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary amineazacycletertiary aliphatic aminemethoxybenzenebenzylisoquinolineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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