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 C1[C@@H]([C@@]([C@H]2[C@]3(C1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H]([C@H](C2)O[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)[C@@H](CC[C@@H](C(C)(C)O)O)C)C)C)C3)(C)CO)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum foetidum Ref.
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OrganismThalictrum foetidum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53