input word = C00044511

Metabolite InformationStructural formula
Name Ajugasalicioside F
(-)-Ajugasalicioside F
Formula C35H58O12
Mw 670.39282732
CAS RN 503623-36-7
C_ID C00044511 ,
InChIKey KDMLORXVQJDOAH-VFFZUYRCNA-N
InChICode InChI=1S/C35H58O12/c1-5-20-26(40)30(47-34(20,4)16-38)23(14-36)35(44)25(39)13-22-19-7-6-17-12-18(8-10-32(17,2)21(19)9-11-33(22,35)3)45-31-29(43)28(42)27(41)24(15-37)46-31/h7,17-18,20-31,36-44H,5-6,8-16H2,1-4H3/t17-,18-,20-,21-,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,32-,33-,34+,35+/m0/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1C(=CC2)[C@H]2[C@](CC1)([C@]([C@H](C2)O)([C@H](CO)[C@@H]1O[C@]([C@H]([C@@H]1O)CC)(C)CO)O)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga salicifolia Ref.
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