| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:56 UTC |
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| Update Date | 2025-03-21 18:35:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107742 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C33H43N3O7 |
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| Molecular Mass | 593.3101 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3OC(=O)C(C)=C3CC)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | LJSZJRXXTUDVAP-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 compoundsbutenolidescarbonyl compoundscarboxylic acidsdihydrofuransenoate estersheteroaromatic compoundshydrocarbon derivativeslactamslactonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativeslactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compounddihydrofuranenoate esterazacycleheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolinecarboxylic acid esterpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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