input word = C00029950

Metabolite InformationStructural formula
Name Cichorioside C
Formula C21H32O9
Mw 428.20463262
CAS RN 117013-50-0
C_ID C00029950 ,
InChIKey JSOWYWSOJSNXRV-APXACOEDNA-N
InChICode InChI=1S/C21H32O9/c1-9-4-5-13(29-21-19(26)18(25)17(24)15(8-22)30-21)10(2)7-14-16(12(23)6-9)11(3)20(27)28-14/h4,7,11-19,21-26H,5-6,8H2,1-3H3/b9-4-,10-7+/t11-,12+,13+,14+,15-,16-,17-,18+,19-,21+/m1/s1
SMILES C1/C=C(\C[C@@H]([C@@H]2[C@H](/C=C(/[C@H]1O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)\C)OC(=O)[C@@H]2C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
PlantaeAsteraceaeCichorium intybus Ref.
PlantaeAsteraceaeHypochaeris radicata L. Ref.
PlantaeAsteraceaeTaraxacum bessarabicum (Hornem.) Hand-Mazz. Ref.
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OrganismTaraxacum bessarabicum (Hornem.) Hand-Mazz.
ReferenceZidorn,Phytochem.,69,(2008),2270