input word = C00003555

Metabolite InformationStructural formula
Name Thalicoside A
Formula C42H70O14
Mw 798.47655695
CAS RN 93208-45-8
C_ID C00003555 ,
InChIKey DWONHNNHWHSAHV-QWEHLYDQNA-N
InChICode InChI=1S/C42H70O14/c1-20(2)7-8-22(45)21(3)29-23(46)15-40(6)27-10-9-26-38(4,19-53-36-34(51)32(49)30(47)24(16-43)54-36)28(56-37-35(52)33(50)31(48)25(17-44)55-37)11-12-41(26)18-42(27,41)14-13-39(29,40)5/h7,21-37,43-52H,8-19H2,1-6H3/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41-,42+/m1/s1
SMILES CC(C)=CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@H]3CC[C@H]4[C@](C)(CO[C@@H]5OC(CO)[C@@H](O)C(O)C5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)CC[C@@]45C[C@@]35CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum minus Ref.
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