| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:15:07 UTC |
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| Update Date | 2025-03-24 21:05:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01670342 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H5NO2 |
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| Molecular Mass | 123.032 |
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| SMILES | O=CC=C1C=CC(=O)N1 |
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| InChI Key | RNHSCDHXYPKJTL-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 | pyrrolines |
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| Direct Parent | pyrrolines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldehydesazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl grouplactamazacyclealdehydecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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