| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:50 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157635 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C40H39N5O16 |
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| Molecular Mass | 845.2392 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc([nH]2)C(CCC(=O)O)=C1CC(=O)O)C(CCC(=O)O)=C5CC(=O)O)c(CC(=O)O)c4CCC(=O)O)N3 |
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| InChI Key | ZRQGCNAJYPVEAV-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 compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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