| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:43:07 UTC |
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| Update Date | 2025-03-24 22:11:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02022035 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C43H40N2O18 |
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| Molecular Mass | 872.2276 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)C2=Cc3[nH]c(c(CC(=O)O)c3CCC(=O)O)C=c3cc4c(CC(=O)O)c(CCC(=O)O)c(c(CC(=O)O)c4c(CC(=O)O)c3CCC(=O)O)=CC1=N2 |
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| InChI Key | CBDYHUFQZLMIRF-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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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 oxidenaphthaleneorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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