| 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 | DMID02172425 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H45N3O8 |
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| Molecular Mass | 611.3207 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3CCC(CCC(=O)O)O3)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | RRQFJZLWUKQKQY-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 acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolespyrrolinessecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupetherlactamcarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativesdialkyl etherorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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