| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:05 UTC |
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| Update Date | 2025-03-25 00:53:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C36H36N4O10 |
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| Molecular Mass | 684.2431 |
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| SMILES | Cc1c2cc3nc4cc5c(CCC(=O)O)c(C)c([nH]3)=CC(=NC(=Cc(c1CCC(=O)O)c(CCC(=O)O)c4C)N2)C(CC(=O)O)=C5CC(=O)O |
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| InChI Key | QVTDCGJTEFTMRX-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 compoundsazepinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundpentacarboxylic acid or derivativesorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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