| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:43:39 UTC |
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| Update Date | 2025-03-24 22:11:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02023304 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C48H48N4O20 |
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| Molecular Mass | 1000.2862 |
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| SMILES | NC(Cc1c(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc1c(CCC(=O)O)c2CC(=O)O)C(CCC(=O)O)=C5CC(=O)O)c(CC(=O)O)c4CCC(=O)O)C(CC(=O)O)=C3CCC(=O)O)C(=O)O |
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| InChI Key | GAFYKNSPYRXVMD-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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