| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:42 UTC |
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| Update Date | 2025-03-25 01:01:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246437 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30N2O5 |
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| Molecular Mass | 390.2155 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(CCCC(=O)OC)c(CCC(=O)O)c1C |
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| InChI Key | UQGZZNPBDGRWPZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid methyl esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmethyl estersorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidefatty acid methyl esterorganic oxygen compoundpyrrolinecarboxylic acid esterpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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