| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:49 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175781 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C39H38N4O14 |
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| Molecular Mass | 786.2385 |
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| SMILES | CC1=C(CCC(=O)O)C2=CC3=NC(=Cc4[nH]c(c(CC(=O)O)c4CCC(=O)O)C=C4N=C1C=C(N4)C(CCC(=O)O)=C2CC(=O)O)C(CC(=O)O)=C3CCC(=O)O |
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| InChI Key | OKOOFWABCBBCSZ-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativepyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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