| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:11 UTC |
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| Update Date | 2025-03-25 01:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249804 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H25NO4 |
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| Molecular Mass | 355.1784 |
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| SMILES | Cc1cc2c(c(C)c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)C2 |
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| InChI Key | WTGLSAUMCBSMAC-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 | benzazepines |
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| Subclass | benzazepines |
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| Direct Parent | benzazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazepinesbenzenoidscarbonyl 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 derivativebenzenoidorganic nitrogen compoundbenzazepineorganooxygen compound |
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