input word = C00021348

Metabolite InformationStructural formula
Name 8-Senecioyloxy-14-thapsanol
Formula C20H32O4
Mw 336.23005951
CAS RN 100776-67-8
C_ID C00021348 ,
InChIKey HMZLPTZFNMJDIY-SNTGTBNLNA-N
InChICode InChI=1S/C20H32O4/c1-12(2)10-14(21)24-16-13-11-23-17(22)15(13)20(6)18(3,4)8-7-9-19(16,20)5/h10,13,15-17,22H,7-9,11H2,1-6H3/t13-,15-,16+,17-,19+,20+/m1/s1
SMILES CC(C)=CC(=O)O[C@H]1[C@@H]2CO[C@@H](O)[C@@H]2[C@@]2(C)C(C)(C)CCC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeThapsia villosa Ref.
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