| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:31 UTC |
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| Update Date | 2025-03-25 00:54:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209361 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C42H45N3O10 |
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| Molecular Mass | 751.3105 |
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| SMILES | CC1=C(CCC(=O)O)c2cc3c(CCC(=O)O)c(C)c4cc(nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)c(C)c3CCC(=O)O)C(C)=C4CCC(=O)O |
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| InChI Key | SJPDQNRNEXHVGK-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 | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic acids and 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 compoundpentacarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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