input word = C00040303

Metabolite InformationStructural formula
Name Shizukaol O
(-)-Shizukaol O
Formula C40H46O14
Mw 750.28875618
CAS RN 1006590-93-7
C_ID C00040303 ,
InChIKey NTBPSDGZVJOPGC-VTTWBLKINA-N
InChICode InChI=1S/C40H46O14/c1-16(13-41)8-29(45)53-15-39(50)24-11-23(24)37(3)25(39)12-22-20(14-52-28(44)7-6-27(42)43)36(49)54-40(22)26(37)10-19-18-9-21(18)38(4)31(19)32(40)30(33(46)34(38)47)17(2)35(48)51-5/h8,18,21,23-26,32,34,41,47,50H,6-7,9-15H2,1-5H3,(H,42,43)/b16-8+,30-17+/t18-,21-,23-,24+,25-,26+,32+,34+,37+,38+,39+,40+/m1/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)COC(=O)CCC(=O)O)[C@@]([C@@H]1[C@H]2C1)(COC(=O)/C=C(\C)/CO)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus fortunei Ref.
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