| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:05 UTC |
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| Update Date | 2025-03-21 18:03:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045967 |
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| Frequency | 73.1 |
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| Structure | |
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| Chemical Formula | C22H26N2O4S2 |
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| Molecular Mass | 446.1334 |
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| SMILES | COc1ccc(C2SSc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | PVEZFFSZKSYNMR-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 compoundscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupetherlactamamino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminecarboxamide groupmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisoleorganic disulfidecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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