input word = C00054065

Metabolite InformationStructural formula
Name Bogoroside
Formula C35H52O15
Mw 712.33062099
CAS RN 13473-51-3
C_ID C00054065
InChIKey CAYUJEAJKPLCAV-TZOZDROWSA-N
InChICode InChI=1S/C35H52O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,15-16,18-22,24-31,36,39-45H,3-10,12-14H2,1-2H3/t16-,18-,19+,20-,21+,22+,24+,25-,26-,27+,28+,29-,30-,31-,32+,33-,34-,35-/m0/s1
SMILES C[C@@]12[C@@](CC[C@@]2(C3=CC(OC3)=O)[H])(O)[C@]4([H])CC[C@]5(O)C[C@@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@H](C)O6)CC[C@]5(C=O)[C@@]4([H])CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria majalis Ref.
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