input word = C00011613

Metabolite InformationStructural formula
Name 3-O-Angeloylsenecioodontol
Formula C25H32O6
Mw 428.21988875
CAS RN 69905-11-9
C_ID C00011613 ,
InChIKey XUBMZAWDQXOIGJ-VULZFCBJNA-N
InChICode InChI=1S/C25H32O6/c1-9-15(5)24(28)30-21(12-11-14(3)4)17(7)19-13-20(26)18(8)23(22(19)27)31-25(29)16(6)10-2/h9-11,13,21,26-27H,7,12H2,1-6,8H3/b15-9-,16-10-/t21-/m0/s1
SMILES C=C(c1cc(O)c(C)c(OC(=O)/C(C)=CC)c1O)C(CC=C(C)C)OC(=O)/C(C)=CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio oxyodontus Ref.
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