| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:33:53 UTC |
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| Update Date | 2025-03-25 00:44:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02141529 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C42H39N5O18 |
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| Molecular Mass | 901.229 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)C2=NC1=Cc1c(CCC(=O)O)c(CC(=O)O)c(c(CCC(=O)O)c1CC(=O)O)C=C1N=C(C=c3[nH]c(c(CCC(=O)O)c3CC(=O)O)=CC(C(=O)O)=N2)N1 |
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| InChI Key | BIQZCYBNSUSTEI-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 derivativesimidolactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compound |
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