input word = C00054500

Metabolite InformationStructural formula
Name Cynarascoloside C
Formula C21H30O9
Mw 426.18898256
CAS RN 518034-54-3
C_ID C00054500
InChIKey HGFWSEPBYRBDOL-JVEAFJHYSA-N
InChICode InChI=1S/C21H30O9/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/h8-10,12-19,21-22,24-26H,1,4-6H2,2-3H3/t8-,9+,10+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1
SMILES C[C@H](C(C1)=O)[C@@]2([H])[C@]1([H])C(C[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@]([C@@H]4C)([H])[C@]2([H])OC4=O)=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCynara scolymus Ref.
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