input word = C00044881

Metabolite InformationStructural formula
Name Ligurobustoside N
(-)-Ligurobustoside N
Formula C35H46O18
Mw 754.26841467
CAS RN 583058-07-5
C_ID C00044881 ,
InChIKey SQXKPAMOLXJEEU-NTEZIJMMNA-N
InChICode InChI=1S/C35H46O18/c1-15-24(41)25(42)27(44)34(48-15)52-30-16(2)49-35(28(45)26(30)43)53-32-29(46)33(47-12-11-17-3-7-19(37)8-4-17)50-22(14-36)31(32)51-23(40)10-6-18-5-9-20(38)21(39)13-18/h3-10,13,15-16,22,24-39,41-46H,11-12,14H2,1-2H3/b10-6+/t15-,16-,22+,24-,25+,26-,27+,28+,29+,30-,31+,32+,33+,34-,35-/m0/s1
SMILES c1c(ccc(c1)CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)C)OC(=O)/C=C/c1cc(c(cc1)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeLigustrum robustum Ref.
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