| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:06:23 UTC |
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| Update Date | 2025-03-24 21:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01649199 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H6N2O2 |
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| Molecular Mass | 138.0429 |
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| SMILES | CC=CC1=NNC(=O)C1=O |
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| InChI Key | IPQIRUYGFPISHI-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 | azolines |
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| Subclass | pyrazolines |
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| Direct Parent | pyrazolones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativescyclic ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupazacyclecyclic ketonecarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundpyrazolinone |
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