input word = C00056976

Metabolite InformationStructural formula
Name 20,21,22,23,24,25,26,27-Octanorcucurbit-5-ene-3,7,16-trione
Formula C22H30O3
Mw 342.21949482
CAS RN 1246441-33-7
C_ID C00056976
InChIKey LYFURVYQFSRRIZ-JSMGBVNZSA-N
InChICode InChI=1S/C22H30O3/c1-19(2)15-10-16(24)18-21(4,14(15)6-7-17(19)25)9-8-20(3)11-13(23)12-22(18,20)5/h10,14,18H,6-9,11-12H2,1-5H3/t14-,18-,20-,21+,22+/m1/s1
SMILES CC1(C)C(=O)CC[C@@H]2C1=CC(=O)[C@@H]1[C@@]2(C)CC[C@]2(C)CC(=O)C[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
zoom in