| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:04:03 UTC |
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| Update Date | 2025-03-24 20:35:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01499246 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C45H42N4O20 |
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| Molecular Mass | 958.2392 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)C2=NC1=CC(C(=O)O)=C(CC(=O)O)C(CCC(=O)O)=C1NC(=C1CC(=O)O)C=C1N=C(C=c3[nH]c(c(CCC(=O)O)c3CC(=O)O)=C2)C(CC(=O)O)=C1CCC(=O)O |
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| InChI Key | URHBUCJFALWMJK-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 | carboxylic acids |
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| Direct Parent | 1-carboxy-2-haloaromatic compounds |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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