input word = C00042817

Metabolite InformationStructural formula
Name Pacificin E
(-)-Pacificin E
Formula C20H34O4
Mw 338.24570957
CAS RN 847450-75-3
C_ID C00042817 ,
InChIKey PNSFHPGODPYTML-VJOSPCTANA-N
InChICode InChI=1S/C20H34O4/c1-13(2)16(24-22)6-8-18(3)10-11-20(5)17(23-20)7-9-19(4,21)15-12-14(15)18/h14-17,21-22H,1,6-12H2,2-5H3/t14-,15-,16+,17-,18-,19-,20-/m0/s1
SMILES C=C(C)C(CC[C@@]1(C)CCC2(C)O[C@H]2CC[C@](C)(O)[C@H]2C[C@@H]21)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea pacifica Ref.
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