input word = C00046953

Metabolite InformationStructural formula
Name Thalicoside A2
(+)-Thalicoside A2
Formula C41H68O13
Mw 768.46599226
CAS RN 289664-95-5
C_ID C00046953 ,
InChIKey DQRIDXWUXLELEC-UFCZNQRXNA-N
InChICode InChI=1S/C41H68O13/c1-20(2)7-8-22(43)21(3)29-23(44)15-39(6)27-10-9-26-37(4,19-52-36-34(50)32(48)31(47)25(16-42)53-36)28(54-35-33(49)30(46)24(45)17-51-35)11-12-40(26)18-41(27,40)14-13-38(29,39)5/h7,21-36,42-50H,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+/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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)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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