input word = C00029954

Metabolite InformationStructural formula
Name Cichorioside H
Formula C21H28O10
Mw 440.16824712
CAS RN 1086489-78-2
C_ID C00029954 ,
InChIKey NKRBYIJSKJPAKV-WEHNOXHBNA-N
InChICode InChI=1S/C21H28O10/c1-7-10-4-12(29-21-18(27)17(26)16(25)13(6-23)30-21)8(2)14-11(24)3-9(5-22)15(14)19(10)31-20(7)28/h3,7,10,12-13,15-19,21-23,25-27H,4-6H2,1-2H3/t7-,10-,12+,13+,15-,16+,17-,18+,19-,21+/m0/s1
SMILES CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2C[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
PlantaeAsteraceaeCichorium endivia Ref.
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