| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:58 UTC |
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| Update Date | 2025-03-25 00:52:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196536 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H35N3O8S |
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| Molecular Mass | 549.2145 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CS(=O)(=O)O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | SXHPLESYNVZSAF-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 acidspyrrolespyrrolinessecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganosulfonic acidorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundpyrrolineorganic sulfonic acid or derivativespyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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