| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:27:22 UTC |
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| Update Date | 2025-03-25 01:26:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02402404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O2 |
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| Molecular Mass | 124.0524 |
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| SMILES | C=CCC1OC(=O)C1=C |
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| InChI Key | OHRNLVGSZDVOLW-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 | lactones |
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| Subclass | beta propiolactones |
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| Direct Parent | beta propiolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanes |
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| Substituents | enoate estercarbonyl groupcarboxylic acid derivativebeta_propiolactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanealiphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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