input word = C00032319

Metabolite InformationStructural formula
Name Thalictoside I
Formula C43H70O14
Mw 810.47655695
CAS RN 150968-29-9
C_ID C00032319 ,
InChIKey KVVIDOBOVDGNLZ-YGCJDHQLNA-N
InChICode InChI=1S/C43H70O14/c1-20(2)16-23-30(47)28(36(52-7)54-23)22-10-12-41(6)26-9-8-25-39(4,19-45)27(11-13-42(25)18-43(26,42)15-14-40(22,41)5)56-38-35(33(50)31(48)24(17-44)55-38)57-37-34(51)32(49)29(46)21(3)53-37/h16,21-38,44-51H,8-15,17-19H2,1-7H3/t21-,22+,23+,24+,25-,26-,27-,28+,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43-/m0/s1
SMILES CO[C@H]1O[C@H](C=C(C)C)[C@@H](O)[C@H]1[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[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
--Thalictri herba Ref.
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