| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:42 UTC |
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| Update Date | 2025-03-25 00:46:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155157 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O3 |
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| Molecular Mass | 246.1004 |
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| SMILES | CC(=O)C1=C(O)C(=O)N(C)C1c1ccc(N)cc1 |
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| InChI Key | WWKSETKURBYAQJ-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 | amino acids and derivativesazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativeshydrocarbon derivativesketoneslactamsorganic oxidesorganopnictogen compoundsprimary aminespyrrolestertiary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeketoneorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundazacycle2-phenylpyrrolinecarboxamide groupvinylogous acidorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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