| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:13 UTC |
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| Update Date | 2025-03-25 00:45:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151626 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C40H41N3O7 |
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| Molecular Mass | 675.2945 |
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| SMILES | C=Cc1c(C)c2c(C(C)=O)c(C)c3nc4cc1c(CCC(=O)O)c(C)c(nc(c(C)c4CCC(=O)O)C=c1[nH]c(c(C)c1CCC(=O)O)=C3)=C2 |
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| InChI Key | DAVVAGXNVUWCBS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketoneazacycleheteroaromatic compoundtricarboxylic acid or derivativesketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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