input word = C00039238

Metabolite InformationStructural formula
Name Gagunin K
(+)-Gagunin K
Formula C39H62O11
Mw 706.42921282
CAS RN 1064680-54-1
C_ID C00039238 ,
InChIKey INJPRTBCZDYGGA-WMWCUSPENA-N
InChICode InChI=1S/C39H62O11/c1-11-15-19-30(44)48-34-31(22(5)6)32-25-20-23(7)33(45)35(46-24(8)40)36(49-28(42)17-13-3)38(25,9)21-26(47-27(41)16-12-2)39(32,10)37(34)50-29(43)18-14-4/h20,22,25-26,31-37,45H,11-19,21H2,1-10H3/t25-,26-,31+,32+,33-,34+,35-,36+,37-,38+,39-/m0/s1
SMILES CCCCC(=O)O[C@@H]1[C@H](C(C)C)[C@@H]2[C@H]3C=C(C)[C@H](O)[C@H](OC(C)=O)[C@@H](OC(=O)CCC)[C@]3(C)C[C@H](OC(=O)CCC)[C@]2(C)[C@H]1OC(=O)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas sp. Ref.
zoom in