input word = C00056975

Metabolite InformationStructural formula
Name 20,21,22,23,24,25,26,27-Octanorcucurbit-5-ene-3,7,17-trione
Formula C22H30O3
Mw 342.21949482
CAS RN 1246441-32-6
C_ID C00056975
InChIKey BIPCUQFYNZSNMY-CQGZLEHPSA-N
InChICode InChI=1S/C22H30O3/c1-19(2)14-12-15(23)18-20(3,13(14)6-7-16(19)24)10-11-21(4)17(25)8-9-22(18,21)5/h12-13,18H,6-11H2,1-5H3/t13-,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)C(=O)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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