| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:53:11 UTC |
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| Update Date | 2025-03-24 21:23:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01761548 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C44H42N4O18 |
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| Molecular Mass | 914.2494 |
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| SMILES | O=C(O)CCc1c2c(CC(=O)O)c(CCC(=O)O)c(c1CC(=O)O)C=Cc1nc([nH]c1CC(=O)O)C=c1c(CC(=O)O)c(CCC(=O)O)c(c(CCC(=O)O)c1CC(=O)O)=CC1=NC(=C2)N1 |
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| InChI Key | ZIVIVSJDOOEDOS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | Not Available |
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| Subclass | benzenoids |
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| Direct Parent | benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compoundazole |
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