| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:00 UTC |
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| Update Date | 2025-03-25 01:00:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242413 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H34N2O6 |
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| Molecular Mass | 542.2417 |
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| SMILES | C=Cc1c(C)c2cc3c(C)c(CCC(=O)O)c(cc4nc(cc1[nH]2)C(C)=C4CCC(=O)O)c(C)c3CCC(=O)O |
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| InChI Key | RPGGXLDFODINDE-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtricarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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