| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:52 UTC |
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| Update Date | 2025-03-25 01:01:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246829 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H47N3O6S |
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| Molecular Mass | 613.3186 |
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| SMILES | CCC1C(Cc2[nH]c(Cc3[nH]c(CC4SC(=O)C(C)C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC(=O)C1C |
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| InChI Key | PXWRSCXUBDYMNB-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 compoundscarbothioic s-lactonescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amidesthioestersthiolactonesthiolanes |
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| Substituents | thiolane2-pyrrolidonecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidonethiolactoneorganoheterocyclic compoundcarbothioic s-lactonethiocarboxylic acid or derivativesazacyclethiocarboxylic acid esterheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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