input word = C00040596

Metabolite InformationStructural formula
Name Tyrianthin 8
(-)-Tyrianthin 8
Formula C45H76O20
Mw 936.49299487
CAS RN 1072159-32-0
C_ID C00040596 ,
InChIKey MDEMDKARDFUEHH-WXJZCIJHNA-N
InChICode InChI=1S/C45H76O20/c1-7-9-15-18-26-19-16-13-11-10-12-14-17-20-28(47)61-39-36(63-42-35(54)32(51)29(48)23(4)56-42)25(6)58-45(40(39)62-41(55)22(3)8-2)65-38-34(53)31(50)27(21-46)60-44(38)64-37-33(52)30(49)24(5)57-43(37)59-26/h8,23-27,29-40,42-46,48-54H,7,9-21H2,1-6H3/b22-8+/t23-,24-,25+,26+,27-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38-,39-,40+,42+,43+,44+,45+/m1/s1
SMILES C/C=C(C)C(=O)OC1[C@@H]2O[C@H]3[C@H](O[C@H]4[C@H](OC(CCCCC)CCCCCCCCCC(=O)O[C@@H]1[C@@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)O2)O[C@H](C)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea tyrianthina Ref.
zoom in