| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:02:38 UTC |
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| Update Date | 2025-03-24 21:00:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01640014 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C45H45N3O16 |
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| Molecular Mass | 883.28 |
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| SMILES | CC1=C(CCC(=O)O)c2cc3nc1cc1[nH]c(cc4nc(cc(c(CCC(=O)O)c2CC(=O)O)C(C)=C4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c1CCC(=O)O |
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| InChI Key | KQQNMRJYIPEDGQ-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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