input word = C00029956

Metabolite InformationStructural formula
Name Cichorioside J
(-)-Cichorioside J
Formula C21H26O10
Mw 438.15259705
CAS RN 1086489-84-0
C_ID C00029956 ,
InChIKey SLYATTJWIISBAO-ZPUBMITLNA-N
InChICode InChI=1S/C21H26O10/c1-9-2-3-12-14(9)21-11(4-5-20(12,27)8-29-21)10(18(26)31-21)7-28-19-17(25)16(24)15(23)13(6-22)30-19/h4-5,12-17,19,22-25,27H,1-3,6-8H2/t12-,13+,14?,15+,16-,17+,19+,20+,21?/m0/s1
SMILES [C@H]12[C@H]([C@]34C(=C(C(=O)O3)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C[C@@]1(O)CO4)C(=C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
zoom in