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=C1CC[C@H]2[C@@H]1[C@]13OC[C@@]2(O)C=CC1=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
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