input word = C00029959

Metabolite InformationStructural formula
Name Cichorioside M
(+)-Cichorioside M
Formula C21H32O9
Mw 428.20463262
CAS RN 1086489-93-1
C_ID C00029959 ,
InChIKey HAJGGPOOUMMUSU-KVCXJPTPNA-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)7-12(23)16-11(3)20(27)28-14(16)6-9/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+/m0/s1
SMILES C/C1=CC[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/[C@@H](O)[C@H]2[C@H](C1)OC(=O)[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
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