input word = C00054961

Metabolite InformationStructural formula
Name Citroside B
Formula C19H30O8
Mw 386.19406794
CAS RN 120278-09-3
C_ID C00054961
InChIKey XTODSGVDHGMKSN-WKMFZNDFSA-N
InChICode InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6-,11+,12-,14-,15+,16-,17+,19-/m1/s1
SMILES O[C@H]1CC(C)(C)C([C@@](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)(C)C1)=[C@]=CC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus unshiu Ref.
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