| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:21 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149613 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H34N4O4 |
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| Molecular Mass | 550.258 |
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| SMILES | C=Cc1c(C)c2c(C)c(C)c3nc4cc1[nH]c(nc(c(C)c4CCC(=O)O)C=c1[nH]c(c(C)c1CCC(=O)O)=C3)=C2 |
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| InChI Key | KLJNKJOZSPJTBS-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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