| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:22 UTC |
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| Update Date | 2025-03-25 00:49:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172417 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H41N5O9 |
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| Molecular Mass | 639.2904 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3NC(=O)NC(=O)C3CC(=O)O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | RGIHDRRCVHJGJN-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 acidsdiazinanesdicarboximidesheteroaromatic compoundshydrocarbon derivativeslactamsn-acyl ureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonetricarboxylic acid or derivativespyrimidine1,3-diazinaneorganic oxideorganonitrogen compoundorganopnictogen compounddicarboximideureideorganoheterocyclic compoundn-acyl ureacarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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