| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:54:48 UTC |
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| Update Date | 2025-03-24 21:24:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01765426 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C44H44N4O16 |
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| Molecular Mass | 884.2752 |
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| SMILES | CC1=C(CCC(=O)O)C2=CC=c3[nH]c(c(CC(=O)O)c3CCC(=O)O)=CC3=NC(=Cc4[nH]c(c(CCC(=O)O)c4CC(=O)O)C=C(CCC(=O)O)C1=N2)C(CC(=O)O)=C3CCC(=O)O |
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| InChI Key | IOSJUTUYTOUFIP-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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