| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:53 UTC |
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| Update Date | 2025-03-21 18:02:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038299 |
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| Frequency | 91.5 |
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| Structure | |
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| Chemical Formula | C18H23NO5 |
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| Molecular Mass | 333.1576 |
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| SMILES | COc1ccc(C(CO)C(=O)OC2CC3C4OC4C(C2)N3C)cc1 |
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| InChI Key | IUQKKRGDVHCBQJ-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acids and derivativesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersdialkyl ethersepoxideshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmorpholinesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundspiperidinesprimary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupetheramino acid or derivativesalkyl aryl ethercarboxylic acid derivativedialkyl etherbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolidineprimary alcoholpiperidinetertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpyrrolidinetertiary aliphatic amineoxiranehydroxy acidmethoxybenzeneoxazinaneoxacyclemorpholinemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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