| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:34:55 UTC |
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| Update Date | 2025-03-24 21:41:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01860477 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C43H41N3O19 |
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| Molecular Mass | 903.2334 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3c(CC(=O)O)c(CCC(=O)O)c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5CC(=O)O)C(CC(=O)O)=C4CCC(=O)O)OC3CC(=O)O |
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| InChI Key | HKMZFMCFBJZRPB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | alkyl aryl ethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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