input word = C00054499

Metabolite InformationStructural formula
Name Cynarascoloside B
Formula C21H32O9
Mw 428.20463262
CAS RN 518034-53-2
C_ID C00054499
InChIKey BOYYQYRAKVYWCI-WCRLOTECSA-N
InChICode InChI=1S/C21H32O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h8-19,21-26H,1,4-6H2,2-3H3/t8-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1
SMILES C=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCynara scolymus Ref.
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