| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:20:37 UTC |
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| Update Date | 2025-03-25 01:48:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02526735 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C40H41N5O19 |
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| Molecular Mass | 895.2396 |
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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)C(=O)O)C(=O)O |
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| InChI Key | XTCXNWKROUCQTL-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 | alpha hydroxy acids and derivativesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxy acidtertiary alcoholorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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