| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:05 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181021 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C44H41N3O18 |
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| Molecular Mass | 899.2385 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3cc(CC(=O)O)c(cc4nc(cc5c(CCC(=O)O)c(CC(=O)O)c(cc1n2)c(CCC(=O)O)c5CC(=O)O)C(CCC(=O)O)=C4CC(=O)O)[nH]3 |
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| InChI Key | BNRWGKUTEMWNLW-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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