input word = C00034248

Metabolite InformationStructural formula
Name Shizukaol B
(-)-Shizukaol B
Formula C40H44O13
Mw 732.27819149
CAS RN 142279-40-1
C_ID C00034248 ,
InChIKey SCTFNYRDIXJIGS-ZYBHEZSUNA-N
InChICode InChI=1S/C40H44O13/c1-16-7-6-8-27(41)51-14-28(42)50-13-20-22-12-25-37(3,23-11-24(23)39(25,48)15-52-34(16)45)26-10-19-18-9-21(18)38(4)30(19)31(40(22,26)53-36(20)47)29(32(43)33(38)44)17(2)35(46)49-5/h7,18,21,23-26,31,33,44,48H,6,8-15H2,1-5H3/b16-7+,29-17-/t18-,21-,23-,24+,25-,26+,31-,33+,37-,38?,39+,40?/m1/s1
SMILES [C@]123[C@H]([C@@]4([C@H]5[C@H](C5)[C@@]5([C@@H]4CC2=C(C(=O)O3)COC(=O)COC(=O)CC/C=C(/C(=O)OC5)\C)O)C)CC2=C3[C@H]1/C(=C(/C(=O)OC)\C)/C(=O)[C@@H]([C@]3([C@H]1[C@@H]2C1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus fortunei Ref.
PlantaeChloranthaceaeChloranthus henryi Ref.
PlantaeChloranthaceaeChloranthus japonicus Ref.
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