input word = C00022029

Metabolite InformationStructural formula
Name 17-Hydroxyacanthoaustralide
Formula C20H32O5
Mw 352.22497413
CAS RN 92357-01-2
C_ID C00022029 ,
InChIKey SUTOKLTWMNXOJT-AFBBQGKGNA-N
InChICode InChI=1S/C20H32O5/c1-15(11-13-21)9-10-18(23)20(3)12-5-8-17(19(24)25-20)7-4-6-16(2)14-22/h6,8,11,18,21-23H,4-5,7,9-10,12-14H2,1-3H3/b15-11-,16-6+/t18-,20-/m0/s1
SMILES C1(=O)C(=CCC[C@](O1)([C@H](CC/C(=C\CO)/C)O)C)CC/C=C(\C)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium longipilum Ref.
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