| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:44 UTC |
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| Update Date | 2025-03-25 00:47:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164106 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C42H44N4O13 |
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| Molecular Mass | 812.2905 |
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| SMILES | CC1=C(CCC(=O)O)C2=NC1=CC(O)=C(CCC(=O)O)C(C)=C1NC(=C1CCC(=O)O)C=C1N=C(C=c3[nH]c(c(C)c3CCC(=O)O)=C2)C(CCC(=O)O)=C1CC(=O)O |
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| InChI Key | FRFBYQJCRLVAAW-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 | hexacarboxylic acids and derivatives |
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| Direct Parent | hexacarboxylic 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 compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundorganooxygen compound |
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