input word = C00044216

Metabolite InformationStructural formula
Name Ligurobustoside C
(-)-Ligurobustoside C
Formula C31H44O12
Mw 608.28327687
CAS RN 176703-94-9
C_ID C00044216 ,
InChIKey SWJOMZRFHWDJCX-YWRLUKCKNA-N
InChICode InChI=1S/C31H44O12/c1-17(2)6-5-7-18(3)14-15-39-30-27(38)29(43-31-26(37)25(36)24(35)19(4)40-31)28(22(16-32)41-30)42-23(34)13-10-20-8-11-21(33)12-9-20/h6,8-14,19,22,24-33,35-38H,5,7,15-16H2,1-4H3/b13-10+,18-14+/t19-,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](O[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)[C@H]([C@@H](O[C@@H]1CO)OC/C=C(/CCC=C(C)C)\C)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