input word = C00054003

Metabolite InformationStructural formula
Name Citronellyl beta-sophoroside
Formula C22H40O11
Mw 480.25706212
CAS RN 209681-41-4
C_ID C00054003
InChIKey UPVBTYUCCOHEPJ-HUDFVEFISA-N
InChICode InChI=1S/C22H40O11/c1-11(2)5-4-6-12(3)7-8-30-22-20(18(28)16(26)14(10-24)32-22)33-21-19(29)17(27)15(25)13(9-23)31-21/h5,12-29H,4,6-10H2,1-3H3/t12?,13-,14-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1
SMILES CC(C)=CCCC(C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa damascena var. bulgaria Ref.
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