| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:25 UTC |
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| Update Date | 2025-03-25 00:49:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172550 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H30N2O8S |
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| Molecular Mass | 518.1723 |
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| SMILES | CCC1=C(C)C(Cc2[nH]c(C(=O)CCc3ccc(OS(=O)(=O)O)cc3)c(CCC(=O)O)c2C)NC1=O |
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| InChI Key | ULQNVPKCIJENHY-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 | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolespyrrolinessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouplactamcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundcarboxylic acid derivativeketonephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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