| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:23 UTC |
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| Update Date | 2025-03-25 01:00:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245670 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H39N3O7 |
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| Molecular Mass | 541.2788 |
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| SMILES | CCCOC(=O)c1[nH]c(Cc2[nH]c(CC3NC(=O)C(C)=C3CC)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | WNTHDESJCORGTD-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinepyrrole-2-carboxylic acid or derivativespyrrolecarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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