| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:35 UTC |
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| Update Date | 2025-03-25 00:54:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209527 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C46H50N4O12 |
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| Molecular Mass | 850.3425 |
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| SMILES | CC1=C(CCC(=O)O)C2=Cc3[nH]c(c(CCC(=O)O)c3C)C=C3N=C(C=c4c(CCC(=O)O)c(C)c(c(C)c4CCC(=O)O)=CC(CCC(=O)O)=NC1=N2)C(CCC(=O)O)=C3C |
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| InChI Key | PNUNUNNEUFVAFZ-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 compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundorganooxygen compound |
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