| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:56:21 UTC |
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| Update Date | 2025-03-25 01:38:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02470391 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O2 |
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| Molecular Mass | 112.0524 |
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| SMILES | O=C1C=COCCC1 |
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| InChI Key | TWWPKQCASNQZJC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | vinylogous esters |
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| Subclass | vinylogous esters |
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| Direct Parent | vinylogous esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | ketoneoxacyclecarbonyl grouporganic oxideorganic oxygen compoundvinylogous esteraliphatic heteromonocyclic compoundhydrocarbon derivativecyclic ketoneorganoheterocyclic compoundorganooxygen compound |
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