| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:15 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249965 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO3 |
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| Molecular Mass | 243.0895 |
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| SMILES | C=CC1=C(C)C(=CC=C2C=C(C)C(=O)O2)NC1=O |
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| InChI Key | PLCXVXHAASZOJG-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 | dihydrofurans |
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| Subclass | furanones |
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| Direct Parent | butenolides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsdihydrofuransenoate estersenol estershydrocarbon derivativeslactamslactonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundenol esterenoate esterazacyclecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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