input word = C00040296

Metabolite InformationStructural formula
Name Shizukaol F
Formula C40H44O13
Mw 732.27819149
CAS RN 165171-10-8
C_ID C00040296 ,
InChIKey XOCHXEVAPBOSPH-PFGQDSMINA-N
InChICode InChI=1S/C40H44O13/c1-16-8-29(43)52-15-39(48)24-11-23(24)37(3)25(39)12-22-20(14-51-28(42)7-6-27(41)50-13-16)36(47)53-40(22)26(37)10-19-18-9-21(18)38(4)31(19)32(40)30(33(44)34(38)45)17(2)35(46)49-5/h8,18,21,23-26,32,34,45,48H,6-7,9-15H2,1-5H3/b16-8+,30-17-/t18-,21-,23+,24-,25-,26+,32+,34-,37-,38-,39+,40+/m1/s1
SMILES [C@]12([C@H]3CC4=C(C(=O)O[C@@]54[C@H]1CC1=C4[C@@H]5/C(=C(/C)\C(=O)OC)/C(=O)[C@H]([C@@]4([C@H]4[C@@H]1C4)C)O)COC(=O)CCC(=O)OC/C(=C/C(=O)OC[C@@]3([C@H]1[C@@H]2C1)O)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus fortunei Ref.
PlantaeChloranthaceaeChloranthus japonicus Ref.
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