| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:38 UTC |
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| Update Date | 2025-03-25 00:50:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179936 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C44H45N3O14 |
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| Molecular Mass | 839.2902 |
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| SMILES | Cc1c(CCC(=O)O)c2cc3nc(cc4c(C)c(CCC(=O)O)c(cc5nc(cc1[nH]2)C(CC(=O)O)=C5CCC(=O)O)c(CCC(=O)O)c4C)C(CC(=O)O)=C3CCC(=O)O |
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| InChI Key | LFRSNCWYPTWSHR-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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