input word = C00051136

Metabolite InformationStructural formula
Name Kessoglycol diacetate
Formula C19H30O5
Mw 338.20932407
CAS RN 13835-51-3
C_ID C00051136
InChIKey UVUBMUALYRCMQK-UHFFFAOYNA-N
InChICode InChI=1S/C19H30O5/c1-10-7-15(22-11(2)20)17-13(10)8-14-16(23-12(3)21)9-19(17,6)24-18(14,4)5/h10,13-17H,7-9H2,1-6H3
SMILES CC(=O)OC1CC2(C)OC(C)(C)C1CC1C(C)CC(OC(C)=O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis var.latifolia Ref.
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