| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:40 UTC |
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| Update Date | 2025-03-25 00:56:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216729 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO5 |
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| Molecular Mass | 307.142 |
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| SMILES | CCC1=C(C)C(=O)NC1CC1OC(=O)C(CCC(=O)O)=C1C |
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| InChI Key | QBIAYQNPAXIFEK-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 compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativeslactamslactonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidcarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundenoate esterazacyclecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolinecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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