input word = C00057007

Metabolite InformationStructural formula
Name 23,24,25,26,27-Pentanor-3,7-dioxocucurbit-5-en-22-oic acid
Formula C25H36O4
Mw 400.26135964
CAS RN 1289117-58-3
C_ID C00057007
InChIKey NESUTGXPHDNOHE-GYCVRCNYSA-N
InChICode InChI=1S/C25H36O4/c1-14(21(28)29)15-9-11-23(4)16(15)10-12-24(5)17-7-8-19(26)22(2,3)18(17)13-20(27)25(23,24)6/h13-17H,7-12H2,1-6H3,(H,28,29)/t14-,15+,16+,17+,23+,24-,25-/m0/s1
SMILES [H][C@]12C(C(C)(C)C(CC1)=O)=CC([C@]3(C)[C@@]2(C)CC[C@@]4([H])[C@@]3(C)CC[C@]4([H])[C@H](C)C(O)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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