input word = C00054229

Metabolite InformationStructural formula
Name Cichorioside A
Formula C21H30O8
Mw 410.19406794
CAS RN 117013-48-6
C_ID C00054229
InChIKey NQBYUJUKDCQZBE-UHFFFAOYSA-N
InChICode InChI=1S/C21H30O8/c1-9-11-4-6-21(3)7-5-12(10(2)14(21)18(11)29-19(9)26)27-20-17(25)16(24)15(23)13(8-22)28-20/h11-13,15-18,20,22-25H,1,4-8H2,2-3H3
SMILES C=C1C(=O)OC2C3=C(C)C(OC4OC(CO)C(O)C(O)C4O)CCC3(C)CCC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
PlantaeAsteraceaeCichorium intybus Ref.
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OrganismCichorium endivia
ReferenceBohlmann, F. et al., Phytochemistry, 1985, 24, 1111-1112 (hydroperoxide)