| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:58 UTC |
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| Update Date | 2025-03-25 00:51:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H34N4O6 |
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| Molecular Mass | 594.2478 |
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| SMILES | C=Cc1c2cc3nc4cc5c(C)c(CCC(=O)O)c([nH]3)=CC(=NC(=Cc(c1C)c(CCC(=O)O)c4C)N2)C(CC(=O)O)=C5C |
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| InChI Key | OVCABKHWYFTBQT-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 | azacyclic compoundsazepinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtricarboxylic acid or derivativesorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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