| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:22 UTC |
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| Update Date | 2025-03-21 18:34:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098953 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C18H18N2O5 |
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| Molecular Mass | 342.1216 |
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| SMILES | C=CC1=C(C)C(=CC2=NC(=CC(=O)O)C(CCC(=O)O)=C2C)NC1=O |
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| InChI Key | VVMBLZSOGXDXBW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesketimineslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidazacycleimineorganic 1,3-dipolar compoundcarboxamide grouppropargyl-type 1,3-dipolar organic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinealiphatic heteromonocyclic compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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