input word = C00044215

Metabolite InformationStructural formula
Name Ligurobustoside B
(-)-Ligurobustoside B
Formula C31H44O13
Mw 624.27819149
CAS RN 176703-93-8
C_ID C00044215 ,
InChIKey TYRGLPMBSNUUEL-RZAYVYNVNA-N
InChICode InChI=1S/C31H44O13/c1-16(2)6-5-7-17(3)12-13-40-30-27(39)29(44-31-26(38)25(37)24(36)18(4)41-31)28(22(15-32)42-30)43-23(35)11-9-19-8-10-20(33)21(34)14-19/h6,8-12,14,18,22,24-34,36-39H,5,7,13,15H2,1-4H3/b11-9+,17-12+/t18-,22+,24-,25-,26+,27+,28+,29+,30+,31-/m0/s1
SMILES [C@H]1([C@@H]([C@H]([C@@H](O[C@H]1C)O[C@H]1[C@H](OC(=O)/C=C/c2cc(c(cc2)O)O)[C@H](O[C@H]([C@@H]1O)OC/C=C(\C)/CCC=C(C)C)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeLigustrum robustum Ref.
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OrganismLigustrum robustum
ReferenceTian,Phytochem.,48,(1998),1013