input word = C00012270

Metabolite InformationStructural formula
Name Jurineolide
Formula C20H26O7
Mw 378.16785319
CAS RN 22419-78-9
C_ID C00012270 ,
InChIKey MODAISDAHGURPG-CWQPLZJPNA-N
InChICode InChI=1S/C20H26O7/c1-12(6-7-21)19(24)26-16-8-14(10-22)4-3-5-15(11-23)9-17-18(16)13(2)20(25)27-17/h4,6,9,16-18,21-23H,2-3,5,7-8,10-11H2,1H3/b12-6-,14-4-,15-9-/t16-,17-,18+/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(CO)C[C@H](OC(=O)/C(C)=CCO)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeJurinea cyanoides Ref.
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