input word = C00061071

Metabolite InformationStructural formula
Name Timosaponin F
Formula C39H64O15
Mw 772.42452138
CAS RN 249729-36-0
C_ID C00061071
InChIKey OWJBOTNJAKRILN-UVUNLVCXSA-N
InChICode InChI=1S/C39H64O15/c1-16-11-24(42)39(49-15-16)17(2)25-33(54-39)29(45)26-20-6-5-18-12-19(7-9-37(18,3)21(20)8-10-38(25,26)4)50-36-34(31(47)28(44)23(14-41)52-36)53-35-32(48)30(46)27(43)22(13-40)51-35/h16-36,40-48H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22+,23+,24-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36+,37-,38+,39-/m0/s1
SMILES CC1COC2(OC3C(O)C4C5CCC6CC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
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