input word = C00032172

Metabolite InformationStructural formula
Name Soulieoside A
(+)-Soulieoside A
Formula C39H60O11
Mw 704.41356276
CAS RN 769931-65-9
C_ID C00032172 ,
InChIKey DEEGQLBLXWGMCY-BKJDQELWNA-N
InChICode InChI=1S/C39H60O11/c1-19-16-23-30(34(6,7)48-21(3)41)50-39(49-23)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-28(46-20(2)40)27(43)22(42)17-45-31)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1
SMILES CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(O[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeSouliea vaginata Ref.
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OrganismSouliea vaginata
ReferenceZhou,Chem.Pharm.Bull.,52,(2004),622