| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:10 UTC |
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| Update Date | 2025-03-21 17:58:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013575 |
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| Frequency | 328.4 |
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| Structure | |
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| Chemical Formula | C27H29N3O6 |
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| Molecular Mass | 491.2056 |
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| SMILES | CC1=C(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc1n2)c(CCC(=O)O)c4C)c(CCC(=O)O)c3C |
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| InChI Key | RWSNGEOHXWMPNQ-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 compoundscarbonyl 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 derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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