| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:11 UTC |
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| Update Date | 2025-03-25 00:52:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197003 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C36H48N2O9 |
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| Molecular Mass | 652.336 |
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| SMILES | CCC1C(=O)NC(Cc2[nH]c(Cc3c(CCC(=O)O)c(C)c(CC4CCC(=O)O4)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)C1C |
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| InChI Key | XGBBUMMVXGUMBK-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylpropanoic acidspyrrolespyrrolidine-2-onessecondary carboxylic acid amidestetrahydrofuransm-xylenes |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidlactonexyleneorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycletetrahydrofuranheteroaromatic compoundm-xylenetetracarboxylic acid or derivativescarboxamide groupgamma butyrolactoneoxacyclesecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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