| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:43 UTC |
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| Update Date | 2025-03-25 00:46:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155192 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO2 |
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| Molecular Mass | 215.0946 |
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| SMILES | CC(=O)C1=C(C)NC(=O)C1c1ccccc1 |
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| InChI Key | FDERGJFHUSPNPG-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 | pyrrolines |
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| Subclass | phenylpyrrolines |
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| Direct Parent | phenylpyrrolines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativeshydrocarbon derivativesketoneslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidemonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundazacycle3-phenylpyrrolinecarboxamide groupcarboxylic acid derivativeketonesecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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