| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:46 UTC |
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| Update Date | 2025-03-21 18:41:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135795 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C25H28N2O5S |
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| Molecular Mass | 468.1719 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2SCC(C)=C2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | TUGXQGVTEAPHPZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdihydrothiophenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidesthioenol ethers |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compound2,5-dihydrothiophenecarboxamide groupsecondary carboxylic acid amideorganic oxidethioenoletherorganic oxygen compoundpyrrolinepyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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