input word = C00034249

Metabolite InformationStructural formula
Name Shizukaol C
(-)-Shizukaol C
Formula C36H42O10
Mw 634.27779756
CAS RN 142279-41-2
C_ID C00034249 ,
InChIKey KDKIOCIPCJDWMT-ZOYWCOIJNA-N
InChICode InChI=1S/C36H42O10/c1-7-14(2)30(40)45-13-35(43)22-10-21(22)33(4)23(35)11-20-18(12-37)32(42)46-36(20)24(33)9-17-16-8-19(16)34(5)26(17)27(36)25(28(38)29(34)39)15(3)31(41)44-6/h7,16,19,21-24,27,29,37,39,43H,8-13H2,1-6H3/b14-7+,25-15-/t16-,19-,21-,22+,23-,24-,27+,29+,33+,34+,35+,36+/m1/s1
SMILES C/C=C(C)C(=O)OC[C@]1(O)[C@H]2C[C@H]2[C@]2(C)C3CC4=C5[C@H](/C(=C(C)C(=O)OC)C(=O)[C@H](O)[C@@]5(C)[C@@H]5C[C@H]45)[C@@]34OC(=O)C(CO)=C4C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus henryi Ref.
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OrganismChloranthus henryi
ReferenceLi,Phytochem.,69,(2008),2867