input word = C00044217

Metabolite InformationStructural formula
Name Ligurobustoside D
Formula C31H44O12
Mw 608.28327687
CAS RN 176779-11-6
C_ID C00044217 ,
InChIKey SWJOMZRFHWDJCX-WBQMKVDSNA-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 CC(C)=CCC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C=Cc2ccc(O)cc2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeLigustrum robustum Ref.
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