| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:50 UTC |
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| Update Date | 2025-03-25 00:58:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230629 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO3 |
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| Molecular Mass | 205.0739 |
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| SMILES | CN1C(=O)C(O)=C(O)C1c1ccccc1 |
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| InChI Key | LBUQSOHVAPHEBO-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 derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestertiary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundazacycle2-phenylpyrrolinecarboxamide groupcarboxylic acid derivativevinylogous acidorganic oxideorganic oxygen compoundtertiary carboxylic acid amidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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