input word = C00044882

Metabolite InformationStructural formula
Name Ligurobustoside O
(-)-Ligurobustoside O
Formula C31H42O13
Mw 622.26254143
CAS RN 583058-09-7
C_ID C00044882 ,
InChIKey UGBXTEQHQHJRAF-AYRZRUGDNA-N
InChICode InChI=1S/C31H42O13/c1-16(2)21(34)11-5-17(3)13-14-40-30-27(39)29(44-31-26(38)25(37)24(36)18(4)41-31)28(22(15-32)42-30)43-23(35)12-8-19-6-9-20(33)10-7-19/h6-10,12-13,18,22,24-33,36-39H,1,5,11,14-15H2,2-4H3/b12-8+,17-13+/t18-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1
SMILES c1(ccc(cc1)/C=C/C(=O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)OC/C=C(\C)/CCC(=O)C(=C)C)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeLigustrum robustum Ref.
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OrganismLigustrum robustum
ReferenceHe,J.Nat.Prod.,66,(2003),851