| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:50:35 UTC |
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| Update Date | 2025-03-25 01:35:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02456787 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C43H42N4O16 |
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| Molecular Mass | 870.2596 |
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| SMILES | CC1=C(CCC(=O)O)C2=Cc3[nH]c(c(CC(=O)O)c3CCC(=O)O)C=C3N=C(C(=O)CCC(=O)O)C=c4[nH]c(c(CC(=O)O)c4CCC(=O)O)=CC(=N2)C(CCC(=O)O)=C3CC1=O |
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| InChI Key | PTTVBULLIXLKCK-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketoneazacycleheteroaromatic compoundcyclic ketonecarboxylic acid derivativegamma-keto acidketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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