input word = C00059547

Metabolite InformationStructural formula
Name 7-O-Butylmorroniside
Formula C21H34O11
Mw 462.21011193
CAS RN 1274642-92-0
C_ID C00059547
InChIKey GZOKAIDVFFKTSY-YGBDQCSFSA-N
InChICode InChI=1S/C21H34O11/c1-4-5-6-28-14-7-11-12(19(26)27-3)9-29-20(15(11)10(2)30-14)32-21-18(25)17(24)16(23)13(8-22)31-21/h9-11,13-18,20-25H,4-8H2,1-3H3/t10-,11+,13+,14-,15+,16+,17-,18+,20-,21-/m0/s1
SMILES CCCCOC1CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
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