| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:45 UTC |
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| Update Date | 2025-03-25 00:47:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164158 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H27NO6 |
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| Molecular Mass | 401.1838 |
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| SMILES | CC1=C(CCC(=O)O)C(=Cc2[nH]c(C)c(CCC(=O)O)c2C)C(CC(=O)O)=C1C |
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| InChI Key | PQNBVIXESXJGSV-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 acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativesorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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