input word = C00044219

Metabolite InformationStructural formula
Name Ligurobustoside F
(-)-Ligurobustoside F
Formula C31H44O13
Mw 624.27819149
CAS RN 189276-46-8
C_ID C00044219 ,
InChIKey TXVNEQGMQGFLPH-FWEZULCANA-N
InChICode InChI=1S/C31H44O13/c1-16(2)21(33)11-5-17(3)13-14-40-30-28(39)29(44-31-27(38)26(37)24(35)18(4)42-31)25(36)22(43-30)15-41-23(34)12-8-19-6-9-20(32)10-7-19/h6-10,12-13,18,21-22,24-33,35-39H,1,5,11,14-15H2,2-4H3/b12-8+,17-13+/t18-,21-,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)/CC[C@@H](C(=C)C)O)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