| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:46 UTC |
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| Update Date | 2025-03-21 18:02:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040326 |
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| Frequency | 85.8 |
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| Structure | |
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| Chemical Formula | C23H26N2O5S |
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| Molecular Mass | 442.1562 |
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| SMILES | COc1ccc(C2C(=O)Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | BZDGTYLEQOXVLF-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 derivativesaryl thioethersazacyclic compoundscarbonyl compoundscarbothioic s-lactonescarboxylic acid estershydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidesthioestersthiolactonestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupetherlactamamino acid or derivativesalkyl aryl ethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundthiolactonetertiary amineorganoheterocyclic compoundcarbothioic s-lactonethiocarboxylic acid or derivativesazacyclethiocarboxylic acid estertertiary aliphatic aminecarboxamide groupmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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