input word = C00030659

Metabolite InformationStructural formula
Name Ligustrinoside
Formula C33H48O19
Mw 748.27897935
CAS RN 139501-37-4
C_ID C00030659 ,
InChIKey RFGKYBWBAYNUAA-UHFFFAOYNA-N
InChICode InChI=1S/C33H48O19/c1-10-16(36)4-12-15(9-47-30(20(10)12)51-32-26(41)24(39)22(37)18(6-34)49-32)29(44)48-17-5-13-14(28(43)45-3)8-46-31(21(13)11(17)2)52-33-27(42)25(40)23(38)19(7-35)50-33/h8-13,16-27,30-42H,4-7H2,1-3H3/t10-,11+,12-,13+,16+,17-,18+,19-,20-,21+,22+,23+,24+,25-,26+,27+,30-,31+,32-,33-/m1/s1
SMILES [C@@H]12[C@@H]([C@@H](OC=C1C(=O)OC)O[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)[C@H]([C@@H](C2)OC(=O)C1=CO[C@@H]([C@H]2[C@@H]1C[C@@H]([C@H]2C)O)O[C@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos lucida Ref.
zoom in