Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:47:19 UTC |
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Update Date | 2025-03-25 00:49:09 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02172303 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C32H39N3O6 |
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Molecular Mass | 561.2839 |
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SMILES | CCC1C(=O)NC(Cc2[nH]c(Cc3[nH]c(C(=O)c4ccccc4)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)C1C |
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InChI Key | GFVHEVCSARBJCH-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic oxygen compounds |
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Class | organooxygen compounds |
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Subclass | carbonyl compounds |
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Direct Parent | aryl-phenylketones |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | aryl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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Substituents | 2-pyrrolidonemonocyclic benzene moietylactamcarboxylic acidaromatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclearyl-phenylketoneheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidepyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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