| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:58 UTC |
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| Update Date | 2025-03-25 00:52:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H40N2O9 |
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| Molecular Mass | 596.2734 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1ccc(Cc2c(CCC(=O)O)c(C)c(CCC(=O)O)c(CCC(=O)O)c2CCC(=O)O)[nH]1 |
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| InChI Key | HQEAYSJGDOMPAY-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 acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolespyrrolinessecondary carboxylic acid amidestoluenes |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundtetracarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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