input word = C00010601

Metabolite InformationStructural formula
Name Ajugoside
Formula C17H26O10
Mw 390.15259705
CAS RN 52916-96-8
C_ID C00010601 ,
InChIKey FLOXQRMTDDOZKF-MPCPGHGCNA-N
InChICode InChI=1S/C17H26O10/c1-7(19)27-17(2)5-9(20)8-3-4-24-15(11(8)17)26-16-14(23)13(22)12(21)10(6-18)25-16/h3-4,8-16,18,20-23H,5-6H2,1-2H3/t8-,9-,10+,11-,12-,13-,14+,15+,16?,17+/m1/s1
SMILES [C@@H]12[C@H]([C@@H](OC=C1)O[C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO)[C@](C[C@H]2O)(OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEucommiaceaeEucommia ulmoides Ref.
PlantaeLabiataeAjuga reptans Ref.
PlantaeLabiataeClerodendrum thomsonae Ref.
PlantaeLabiataeLeonurus cardiaca Ref.
PlantaeLabiataeLeonurus persicus Ref.
PlantaeLabiataeMelittis melissophyllum Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeScrophulariaceaeScrophularia deserti Ref.
PlantaeScrophulariaceaeScrophularia lepidota Ref.
zoom in