input word = C00022325

Metabolite InformationStructural formula
Name Baiyunoside
Formula C31H48O11
Mw 596.31966238
CAS RN 86450-75-1
C_ID C00022325 ,
InChIKey JOKKBOSZTVHKSH-DSYISHNHNA-N
InChICode InChI=1S/C31H48O11/c1-16-5-8-21-30(2,3)22(9-11-31(21,4)18(16)7-6-17-10-12-38-14-17)41-29-27(25(36)24(35)20(13-32)40-29)42-28-26(37)23(34)19(33)15-39-28/h10,12,14,19-29,32-37H,5-9,11,13,15H2,1-4H3/t19-,20+,21+,22-,23-,24+,25-,26-,27+,28+,29-,31+/m0/s1
SMILES CC1=C(CCc2ccoc2)[C@@]2(C)CC[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OC[C@@H](O)[C@H](O)C3O)C(C)(C)[C@@H]2CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePhlomis betonicoides Ref.
PlantaeLabiataeSalvia digitaloides Ref.
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