input word = C00029955

Metabolite InformationStructural formula
Name Cichorioside I
(-)-Cichorioside I
Formula C21H28O10
Mw 440.16824712
CAS RN 1086489-81-7
C_ID C00029955 ,
InChIKey POOPERNNBMZLBU-YPAHGFMRNA-N
InChICode InChI=1S/C21H28O10/c1-7-3-11-14(8(2)20(28)30-11)17(25)15-9(4-10(23)13(7)15)6-29-21-19(27)18(26)16(24)12(5-22)31-21/h4,8,11-12,14-19,21-22,24-27H,3,5-6H2,1-2H3/t8-,11-,12+,14-,15-,16+,17-,18-,19+,21+/m0/s1
SMILES C1C(=C2[C@@H]([C@H]([C@@H]3[C@H]1OC(=O)[C@H]3C)O)C(=CC2=O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
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