| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:56 UTC |
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| Update Date | 2025-03-21 18:34:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100340 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C29H29N3O10 |
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| Molecular Mass | 579.1853 |
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| SMILES | Cc1c(CCC(=O)O)c2cc3[nH]c(cc4nc(cc1[nH]2)C(CCC(=O)O)=C4CC(=O)O)c(CCC(=O)O)c3CC(=O)O |
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| InChI Key | CYBYTOINBNBIGZ-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 | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic 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 compoundpentacarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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