input word = C00006333

Metabolite InformationStructural formula
Name Spinosin 6'''-(E)-p-coumarate
Swertisin 6'''-O-p-coumaroyl 2''-O-glucoside
Formula C37H38O17
Mw 754.21089979
CAS RN 77690-93-8
C_ID C00006333 ,
InChIKey GIFDFLYIKYFTAD-CDJUJKOQNA-N
InChICode InChI=1S/C37H38O17/c1-49-22-13-23-27(20(41)12-21(51-23)17-5-9-19(40)10-6-17)31(45)28(22)35-36(33(47)29(43)24(14-38)52-35)54-37-34(48)32(46)30(44)25(53-37)15-50-26(42)11-4-16-2-7-18(39)8-3-16/h2-13,24-25,29-30,32-40,43-48H,14-15H2,1H3/b11-4+/t24-,25-,29-,30-,32+,33+,34-,35+,36-,37+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)[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)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus jujuba Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
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