input word = C00006414

Metabolite InformationStructural formula
Name Swertifrancheside
Formula C35H28O17
Mw 720.13264947
CAS RN 155740-03-7
C_ID C00006414 ,
InChIKey JAANJQNFIJSRTK-FFFCKFLVNA-N
InChICode InChI=1S/C35H28O17/c1-49-11-5-15(39)22-19(6-11)51-33-17(41)7-12(26(42)24(33)29(22)45)21-28(44)25(35-32(48)31(47)27(43)20(9-36)52-35)30(46)23-16(40)8-18(50-34(21)23)10-2-3-13(37)14(38)4-10/h2-8,20,27,31-32,35-39,41-44,46-48H,9H2,1H3/t20-,27-,31+,32-,35+/m1/s1
SMILES c1(c(c(c2c(c1c1cc(c3c(c1O)c(=O)c1c(o3)cc(cc1O)OC)O)oc(cc2=O)c1cc(c(cc1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeSwertia franchetiana Ref.
zoom in