| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:36:30 UTC |
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| Update Date | 2025-03-24 21:42:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01864201 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C44H43N3O16 |
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| Molecular Mass | 869.2643 |
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| SMILES | Cc1c(CCC(=O)O)c2cc(CCC(=O)O)c3nc(cc1[nH]2)C=C1N=C(C=c2c(CCC(=O)O)c(CC(=O)O)c(c(CCC(=O)O)c2CC(=O)O)=C3)C(CC(=O)O)=C1CCC(=O)O |
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| InChI Key | DVTHAIFKJOVUBY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | Not Available |
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| Subclass | benzenoids |
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| Direct Parent | benzenoids |
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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 compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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