input word = C00044222

Metabolite InformationStructural formula
Name Ligurobustoside K
(-)-Ligurobustoside K
Formula C31H46O14
Mw 642.28875618
CAS RN 189276-67-3
C_ID C00044222 ,
InChIKey XDVUZZAJCZJSIP-NYDFXHTQNA-N
InChICode InChI=1S/C31H46O14/c1-16(5-11-21(34)31(3,4)40)13-14-41-29-26(39)28(45-30-25(38)24(37)23(36)17(2)42-30)27(20(15-32)43-29)44-22(35)12-8-18-6-9-19(33)10-7-18/h6-10,12-13,17,20-21,23-30,32-34,36-40H,5,11,14-15H2,1-4H3/b12-8+,16-13+/t17-,20+,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1
SMILES C/C(=CCO[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O)CCC(O)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeLigustrum robustum Ref.
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