input word = C00022126

Metabolite InformationStructural formula
Name 3-[8-[(Acetyloxy)methyl]-13-hydroxy-4-(hydroxymethyl)-12-methyl-11-tridecenyl]-2(5H)-furanone
Formula C22H36O6
Mw 396.25118888
CAS RN 102904-52-9
C_ID C00022126 ,
InChIKey QOWNCLHFBMXMSV-UBKPWBPPNA-N
InChICode InChI=1S/C22H36O6/c1-17(14-23)6-3-9-20(16-28-18(2)25)10-4-7-19(15-24)8-5-11-21-12-13-27-22(21)26/h6,12,19-20,23-24H,3-5,7-11,13-16H2,1-2H3/b17-6+/t19-,20-/m1/s1
SMILES CC(=O)OCC(CC/C=C(C)CO)CCCC(CO)CCCC1=CCOC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNardophyllum lanatum Ref.
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