| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:26:54 UTC |
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| Update Date | 2025-03-25 01:03:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02262693 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C43H41N3O18 |
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| Molecular Mass | 887.2385 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)C2=CC3=C(CC(=O)O)C(CCC(=O)O)=C(C=C4N=C(C=c5[nH]c(c(CCC(=O)O)c5CC(=O)O)=CC1=N2)C(CCC(=O)O)=C4CC(=O)O)C3CC(=O)O |
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| InChI Key | MLJGLGKCCVWHHS-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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