input word = C00051202

Metabolite InformationStructural formula
Name Lappalone
Formula C17H22O4
Mw 290.15180919
CAS RN 613670-07-8
C_ID C00051202
InChIKey JPMPVNCPOBTSBR-KYNMRYMRNA-N
InChICode InChI=1S/C17H22O4/c1-9-5-7-13-15(14-10(2)4-6-12(9)14)21-16(19)17(13,20)8-11(3)18/h12-15,20H,1-2,4-8H2,3H3/t12-,13+,14-,15-,17+/m0/s1
SMILES C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@@]3(O)CC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSaussurea lappa Ref.
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