input word = C00042822

Metabolite InformationStructural formula
Name Pacificin J
(-)-Pacificin J
Formula C20H32O
Mw 288.24531564
CAS RN 847450-80-0
C_ID C00042822 ,
InChIKey SPKCOCUHKUVJLN-LNOBIJNONA-N
InChICode InChI=1S/C20H32O/c1-15-8-6-9-16(2)17-14-18(17)20(5,13-10-15)12-7-11-19(3,4)21/h7-8,11,17-18,21H,2,6,9-10,12-14H2,1,3-5H3/b11-7+,15-8-/t17-,18+,20+/m1/s1
SMILES C=C1CC/C=C(/C)CC[C@](C)(C/C=C/C(C)(C)O)[C@H]2C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea pacifica Ref.
zoom in