input word = C00031147

Metabolite InformationStructural formula
Name Rediocide G
Formula C46H54O13
Mw 814.35644181
CAS RN 872353-41-8
C_ID C00031147 ,
InChIKey VAEBJJRRTFBWLJ-VRNBXGKJNA-N
InChICode InChI=1S/C46H54O13/c1-25-22-32-43(52)35(25)55-33(48)17-11-10-16-31(54-39(49)29-12-6-4-7-13-29)28-20-18-27(19-21-28)23-41(3,51)45(53)36-26(2)44(32)34(37-42(24-47,56-37)40(43)50)38(45)58-46(57-36,59-44)30-14-8-5-9-15-30/h4-17,25-28,31-32,34-38,40,47,50-53H,18-24H2,1-3H3/b16-10-,17-11+/t25-,26+,27-,28+,31-,32-,34-,35-,36-,37-,38+,40-,41-,42-,43-,44-,45-,46-/m1/s1
SMILES CC1CC2C3(O)C1OC(=O)/C=C/C=CC(OC(=O)c1ccccc1)C1CCC(CC1)CC(C)(O)C1(O)C4OC5(c6ccccc6)OC1C(C1OC1(CO)C3O)C2(O5)C4C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeTrigonostemon reidioides Ref.
zoom in