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 C[C@@]12[C@](CC(C2)=O)(C)[C@]3([H])C(C=C4C(C)(C)C(CC[C@@]4([H])[C@]3(C)CC1)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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