| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:39 UTC |
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| Update Date | 2025-03-25 00:56:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H39N3O8S |
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| Molecular Mass | 565.2458 |
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| SMILES | CCC1C(Cc2[nH]c(Cc3[nH]c(CCS(=O)(=O)O)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC(=O)C1C |
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| InChI Key | MDUPDJSFNROVIF-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 acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidspyrrolespyrrolidine-2-onessecondary carboxylic acid amidessulfonyls |
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| Substituents | 2-pyrrolidoneorganosulfonic acid or derivativescarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganosulfonic acidorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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