input word = C00040299

Metabolite InformationStructural formula
Name Shizukaol K
Formula C38H44O11
Mw 676.28836225
CAS RN 1006590-89-1
C_ID C00040299 ,
InChIKey FXXDZYIYSHRRHM-BQLOOFNVNA-N
InChICode InChI=1S/C38H44O11/c1-15(2)8-27(40)48-14-37(45)24-11-23(24)35(5)25(37)12-22-20(13-47-17(4)39)34(44)49-38(22)26(35)10-19-18-9-21(18)36(6)29(19)30(38)28(31(41)32(36)42)16(3)33(43)46-7/h8,18,21,23-26,30,32,42,45H,9-14H2,1-7H3/b28-16-/t18-,21-,23-,24+,25-,26+,30+,32+,35+,36+,37+,38+/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(COC(C)=O)=C5C[C@H]5[C@](O)(COC(=O)C=C(C)C)[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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