input word = C00040297

Metabolite InformationStructural formula
Name Shizukaol I
Formula C36H42O11
Mw 650.27271219
CAS RN 165171-12-0
C_ID C00040297 ,
InChIKey OWFZOKHQOUUVKD-ANFQGQAZNA-N
InChICode InChI=1S/C36H42O11/c1-14(11-37)6-25(39)46-13-35(44)22-9-21(22)33(3)23(35)10-20-18(12-38)32(43)47-36(20)24(33)8-17-16-7-19(16)34(4)27(17)28(36)26(29(40)30(34)41)15(2)31(42)45-5/h6,16,19,21-24,28,30,37-38,41,44H,7-13H2,1-5H3/b14-6+,26-15+/t16-,19-,21-,22+,23+,24-,28-,30-,33+,34-,35+,36+/m0/s1
SMILES [C@]12([C@@H](CC3=C(C(=O)O[C@]43[C@H]1CC1=C3[C@@H]4/C(=C(/C)\C(=O)OC)/C(=O)[C@@H]([C@]3([C@@H]3[C@H]1C3)C)O)CO)[C@]([C@H]1[C@@H]2C1)(COC(=O)/C=C(/CO)\C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus fortunei Ref.
zoom in