| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:21 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220710 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C39H34N4O16 |
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| Molecular Mass | 814.197 |
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| SMILES | O=C(O)CCc1c2cc3nc(cc4nc(C(=O)O)cc5c(CC(=O)O)c(CCC(=O)O)c(nc(cc([nH]4)c(CC(=O)O)c5CCC(=O)O)c1CC(=O)O)=C2)c3CC(=O)O |
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| InChI Key | LQTPKWWTVLGTMG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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