input word = C00040300

Metabolite InformationStructural formula
Name Shizukaol L
(-)-Shizukaol L
Formula C36H40O11
Mw 648.25706212
CAS RN 1006590-90-4
C_ID C00040300 ,
InChIKey SJKPVCKDMMDYGC-PAWSVOGHNA-N
InChICode InChI=1S/C36H40O11/c1-13(7-24(37)38)30(41)46-12-35(44)21-10-20(21)33(4)22(35)11-18-14(2)32(43)47-36(18)23(33)9-17-16-8-19(16)34(5)26(17)27(36)25(28(39)29(34)40)15(3)31(42)45-6/h7,16,19-23,27,29,40,44H,8-12H2,1-6H3,(H,37,38)/b13-7+,25-15?/t16-,19-,20-,21+,22-,23+,27+,29+,33-,34+,35+,36+/m1/s1
SMILES COC(=O)/C(C)=C1C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C(C)=C5C[C@H]5[C@](O)(COC(=O)/C(C)=C/C(=O)O)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus fortunei Ref.
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