| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:22 UTC |
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| Update Date | 2025-03-21 18:31:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086940 |
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| Frequency | 32.8 |
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| Structure | |
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| Chemical Formula | C27H30N2O3S |
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| Molecular Mass | 462.1977 |
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| SMILES | COc1ccc(C2Sc3ccccc3N(CCN(C)C)c3ccccc3C2OC(C)=O)cc1 |
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| InChI Key | MYOAYMUIEDYYPG-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 ethersalkylarylthioethersamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary alkylarylaminestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupetheramino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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