input word = C00029957

Metabolite InformationStructural formula
Name Cichorioside K
(+)-Cichorioside K
Formula C21H26O10
Mw 438.15259705
CAS RN 1086489-87-3
C_ID C00029957 ,
InChIKey SNIHMWOCIZLGDD-WBSFGDOGNA-N
InChICode InChI=1S/C21H26O10/c1-9-2-3-12-14(9)21-11(4-5-20(12,8-23)31-21)10(18(27)30-21)7-28-19-17(26)16(25)15(24)13(6-22)29-19/h4-5,12-17,19,22-26H,1-3,6-8H2/t12-,13+,14+,15+,16-,17+,19+,20-,21+/m0/s1
SMILES C=C1CC[C@H]2[C@@H]1[C@@]13OC(=O)C(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C1C=C[C@]2(CO)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
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