input word = C00054422

Metabolite InformationStructural formula
Name Cynarasaponin F
Formula C41H64O14
Mw 780.42960675
CAS RN 117804-12-3
C_ID C00054422
InChIKey VCNMKNJFULJAPB-XXRUTFLBSA-N
InChICode InChI=1S/C41H64O14/c1-18-19(2)26-20-8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,7)39(20,6)14-15-41(26,36(50)51)16-21(18)42)53-35-32(29(46)28(45)31(54-35)33(48)49)55-34-30(47)27(44)22(43)17-52-34/h8,18-19,21-32,34-35,42-47H,9-17H2,1-7H3,(H,48,49)(H,50,51)/t18-,19-,21-,22-,23-,24+,25?,26-,27-,28-,29-,30+,31-,32+,34-,35?,38-,39+,40+,41+/m0/s1
SMILES O[C@@H](CO1)[C@H](O)[C@@H](O)[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)C2OC3CC[C@@]4(C)[C@](CC[C@]5(C)[C@]4([H])CC=C6[C@@]5(C)CC[C@]7(C(O)=O)[C@@]6([H])[C@@H](C)[C@H](C)[C@@H](O)C7)([H])C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCynara cardunculus Ref.
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