| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:16:44 UTC |
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| Update Date | 2025-03-25 01:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02518066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C40H43N5O18 |
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| Molecular Mass | 881.2603 |
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| SMILES | NC(Cc1c2nc(cc3[nH]c(cc4nc(cc5[nH]c1c(CC(=O)O)c5CCC(=O)O)C(CCC(=O)O)=C4CC(=O)O)c(CCC(=O)O)c3CC(=O)O)C(O)C(O)C2(O)CO)C(=O)O |
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| InChI Key | FIUYKVFWQZIWHH-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 compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidazacycleheteroaromatic compoundtertiary alcoholorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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