input word = C00014051

Metabolite InformationStructural formula
Name Swertisin 4'-O-glucoside-2''-O-rhamnoside
Formula C34H42O19
Mw 754.23202916
CAS RN 225650-03-3
C_ID C00014051 ,
InChIKey CVZRJHQOZKXOTI-INRNCBGXNA-N
InChICode InChI=1S/C34H42O19/c1-11-22(38)26(42)29(45)33(48-11)53-32-28(44)24(40)18(9-35)51-31(32)21-16(47-2)8-17-20(25(21)41)14(37)7-15(50-17)12-3-5-13(6-4-12)49-34-30(46)27(43)23(39)19(10-36)52-34/h3-8,11,18-19,22-24,26-36,38-46H,9-10H2,1-2H3/t11-,18-,19-,22+,23-,24-,26-,27+,28+,29+,30-,31+,32-,33+,34-/m1/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2)OC)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFelicia amelloides Ref.
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