| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:22 UTC |
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| Update Date | 2025-03-25 00:46:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156632 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H35N3O6 |
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| Molecular Mass | 509.2526 |
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| SMILES | C=CC(=O)Cc1c(C)[nH]c(Cc2[nH]c(CC3NC(=O)C(C)=C3CC)c(C)c2CCC(=O)O)c1CC(=O)O |
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| InChI Key | HMEBRDXUQJIFSJ-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 | acryloyl compoundsazacyclic compoundscarboxylic acidsenonesheteroaromatic compoundshydrocarbon derivativesketoneslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundalpha,beta-unsaturated ketoneketoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundenoneazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compound |
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