| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:33 UTC |
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| Update Date | 2025-03-25 00:49:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175141 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13ClO2 |
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| Molecular Mass | 176.0604 |
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| SMILES | CCCCC=C(Cl)C(=O)OC |
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| InChI Key | IKFPYSYMSONWMB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-halocarboxylic acid derivativescarbonyl compoundschloroalkenesenoate estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganochloridesvinyl chlorides |
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| Substituents | enoate esteralpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupchloroalkeneorganochloridecarboxylic acid derivativeorganohalogen compoundalpha-halocarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundvinyl halidecarboxylic acid esterhaloalkenehydrocarbon derivativevinyl chlorideorganooxygen compound |
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