| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:25:43 UTC |
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| Update Date | 2025-03-25 01:51:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02538681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5NO3 |
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| Molecular Mass | 139.0269 |
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| SMILES | CN1C(=O)C(=O)C=C1C=O |
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| InChI Key | IZAPFVLWDCYOJN-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 | pyrroline carboxylic acids and derivatives |
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| Direct Parent | pyrroline carboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldehydesazacyclic compoundscarboxylic acids and derivativescyclic ketoneshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl grouplactamazacyclepyrroline carboxylic acid or derivativesaldehydecyclic ketonecarboxamide groupcarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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