| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:27:43 UTC |
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| Update Date | 2025-03-25 01:51:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02543465 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C47H46N4O18 |
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| Molecular Mass | 954.2807 |
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| SMILES | CC1=C(CCC(=O)O)C2=C(CC(=O)O)C(CCC(=O)O)=C3C=C4N=C(N=C3C=c3[nH]c(c(CCC(=O)O)c3CC(=O)O)=CC(C(=CCC(=O)O)CCC(=O)O)=NC1=C2)C(CCC(=O)O)=C4CC(=O)O |
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| InChI Key | IQLCWRLHMNVSTN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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