| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:44:50 UTC |
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| Update Date | 2025-03-24 22:12:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02026181 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C45H45N3O17 |
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| Molecular Mass | 899.2749 |
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| SMILES | CC1=C2C=c3[nH]c(c(CCC(=O)O)c3CC(=O)O)=CC3=NC(=CC4=C(CC(=O)O)C(CCC(=O)O)=C(C=C1N4)C(CC(=O)O)=C(CCC(=O)O)C(=O)CC2)C(CCC(=O)O)=C3CC(=O)O |
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| InChI Key | WWBXBBKOVSHHFO-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 | amino acidsazacyclic compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrrolessecondary amines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundcyclic ketonesecondary aminecarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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