| 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 00:51:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189845 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C42H43N3O10 |
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| Molecular Mass | 749.2948 |
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| SMILES | C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1c(CCC(=O)O)c2C)C(CCC(=O)O)=C5C)c(CC(=O)O)c4CCC(=O)O)C(C)=C3CCC(=O)O |
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| InChI Key | IOXOJUKFLOQOBA-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 compoundsbenzenoidscarbonyl 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 derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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