| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:22:18 UTC |
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| Update Date | 2025-03-25 01:49:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02530539 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C47H45N3O20 |
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| Molecular Mass | 971.2596 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)C2=CC3=NC1=Cc1[nH]c(c(CCC(=O)O)c1CC(=O)O)C=C1N=C(C=C(C(CC(=O)O)=C2CCC(=O)O)C(CC(=O)O)=C3CCC(=O)O)C(CCC(=O)O)=C1CC(=O)O |
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| InChI Key | SHHNSWDWPWMIRM-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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