input word = C00044218

Metabolite InformationStructural formula
Name Ligurobustoside E
(-)-Ligurobustoside E
Formula C31H44O12
Mw 608.28327687
CAS RN 189276-30-0
C_ID C00044218 ,
InChIKey KCYQWZYCPAUUAA-BJFVNXCONA-N
InChICode InChI=1S/C31H44O12/c1-17(2)6-5-7-18(3)14-15-39-30-28(38)29(43-31-27(37)26(36)24(34)19(4)41-31)25(35)22(42-30)16-40-23(33)13-10-20-8-11-21(32)12-9-20/h6,8-14,19,22,24-32,34-38H,5,7,15-16H2,1-4H3/b13-10+,18-14+/t19-,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](O)[C@@H](O[C@@H]([C@H]1O)COC(=O)/C=C/c1ccc(cc1)O)OC/C=C(\C)/CCC=C(C)C)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