input word = C00044878

Metabolite InformationStructural formula
Name Ligupurpuroside B
Formula C35H46O17
Mw 738.27350005
CAS RN 147396-02-9
C_ID C00044878 ,
InChIKey FNUMFJHHCJMAHD-KPKJPENVNA-N
InChICode InChI=1S/C35H46O17/c1-16-24(40)25(41)27(43)34(47-16)51-30-17(2)48-35(28(44)26(30)42)52-32-29(45)33(46-14-13-19-5-10-21(38)11-6-19)49-22(15-36)31(32)50-23(39)12-7-18-3-8-20(37)9-4-18/h3-12,16-17,22,24-38,40-45H,13-15H2,1-2H3/b12-7+/t16-,17+,22+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-/m0/s1
SMILES CC1OC(OC2C(C)OC(OC3C(O)C(OCCc4ccc(O)cc4)OC(CO)C3OC(=O)/C=C/c3ccc(O)cc3)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeLigustrum robustum Ref.
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