input word = C00046952

Metabolite InformationStructural formula
Name Thalicoside A1
(+)-Thalicoside A1
Formula C42H70O14
Mw 798.47655695
CAS RN 289664-94-4
C_ID C00046952 ,
InChIKey GYYLLXIKQCROMN-MKBZTWEINA-N
InChICode InChI=1S/C42H70O14/c1-20(22-9-11-37(2,3)56-22)28-21(45)15-40(6)26-8-7-25-38(4,19-52-35-33(50)31(48)29(46)23(16-43)53-35)27(55-36-34(51)32(49)30(47)24(17-44)54-36)10-12-41(25)18-42(26,41)14-13-39(28,40)5/h20-36,43-51H,7-19H2,1-6H3/t20-,21+,22+,23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,38+,39-,40+,41-,42+/m1/s1
SMILES C[C@@H]([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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1CCC(C)(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum minus Ref.
zoom in