input word = C00039596

Metabolite InformationStructural formula
Name Kotschyin C
(-)-Kotschyin C
Formula C40H50O17
Mw 802.30480017
CAS RN 926896-46-0
C_ID C00039596 ,
InChIKey XGBCWTKSNSSYMR-PRXJWDRINA-N
InChICode InChI=1S/C40H50O17/c1-19(2)30(47)53-32-38-25(15-28(45)49-11)33(6,29(46)23-12-13-50-17-23)16-26(51-20(3)41)40(38)35(8)24(14-27(44)48-10)34(7)18-37(35,55-36(9,56-38)57-40)39(32,54-22(5)43)31(34)52-21(4)42/h12-13,17,19,24-26,31-32H,14-16,18H2,1-11H3/t24-,25+,26+,31-,32-,33+,34+,35+,36+,37+,38+,39-,40-/m0/s1
SMILES COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@@]6([C@H](OC(=O)C(C)C)[C@@]3(OC(C)=O)[C@H]2OC(C)=O)[C@H](CC(=O)OC)[C@](C)(C(=O)c2ccoc2)C[C@@H](OC(C)=O)[C@]6(O5)C14C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaePseudocedrela kotschyi Ref.
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