input word = C00003513

Metabolite InformationStructural formula
Name Cyclofoetoside B
Formula C47H80O18
Mw 932.53446575
CAS RN 108333-83-1
C_ID C00003513 ,
InChIKey JDYWIMCSAUNOHC-DWJWLHSFNA-N
InChICode InChI=1S/C47H80O18/c1-21(8-11-28(50)42(3,4)59)30-24(63-41-38(58)35(55)33(53)25(64-41)18-61-39-37(57)34(54)31(51)22(2)62-39)16-45(7)27-10-9-26-43(5,20-48)29(65-40-36(56)32(52)23(49)17-60-40)12-13-46(26)19-47(27,46)15-14-44(30,45)6/h21-41,48-59H,8-20H2,1-7H3/t21-,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36+,37-,38+,39-,40+,41+,43+,44-,45+,46-,47+/m1/s1
SMILES CC1O[C@@H](OCC2O[C@@H](O[C@H]3C[C@@]4(C)[C@@H]5CC[C@H]6[C@](C)(CO)[C@@H](O[C@@H]7OC[C@H](O)[C@H](O)C7O)CC[C@@]67C[C@@]57CC[C@]4(C)C3[C@H](C)CC[C@H](O)C(C)(C)O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum foetidum Ref.
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