| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:21 UTC |
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| Update Date | 2025-03-21 18:05:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058254 |
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| Frequency | 54.3 |
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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 | COc1ccc(CC2c3cc(O)c(OC)cc3CN2C)cc1O |
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| InChI Key | JGUYPBASRQTPMA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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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 ethersanisolesaralkylaminesazacyclic compoundshydrocarbon derivativesisoindolesisoindolinesmethoxybenzenesorganopnictogen compoundsphenoxy compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheraralkylamineisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycleisoindoletertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneorganic oxygen compoundanisoleisoindole or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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