input word = C00044512

Metabolite InformationStructural formula
Name Ajugasalicioside G
(-)-Ajugasalicioside G
Formula C39H62O13
Mw 738.41904207
CAS RN 503623-37-8
C_ID C00044512 ,
InChIKey LZDFSWIWYVSBBB-VWINATKGNA-N
InChICode InChI=1S/C39H62O13/c1-8-25-30(43)34(52-38(25,7)18-49-21(4)41)19(2)39(47)29(42)16-27-24-10-9-22-15-23(11-13-36(22,5)26(24)12-14-37(27,39)6)50-35-33(46)32(45)31(44)28(51-35)17-48-20(3)40/h10,19,22-23,25-35,42-47H,8-9,11-18H2,1-7H3/t19-,22+,23+,25+,26+,27+,28-,29+,30+,31-,32+,33-,34+,35-,36+,37+,38-,39-/m1/s1
SMILES CC[C@H]1C(O)[C@H]([C@@H](C)[C@@]2(O)[C@@H](O)C[C@H]3C4=CC[C@H]5C[C@@H](O[C@@H]6O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]1(C)COC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga salicifolia Ref.
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OrganismAjuga salicifolia
ReferenceAkbay,J.Nat.Prod.,66,(2003),461