input word = C00057186

Metabolite InformationStructural formula
Name Momordicilin
Formula C36H60O3
Mw 540.45424578
CAS RN 189156-40-9
C_ID C00057186
InChIKey UQBFECUQCTWGFC-RQSRHSMUSA-N
InChICode InChI=1S/C36H60O3/c1-10-11-17-36(9,38)39-23-33(6)27-15-20-35(8)28(32(27,5)19-16-29(33)37)13-12-26-30-25(3)24(2)14-18-31(30,4)21-22-34(26,35)7/h11,17,24-28,30,38H,10,12-16,18-23H2,1-9H3/b17-11+/t24-,25+,26-,27-,28-,30+,31-,32+,33-,34-,35-,36?/m1/s1
SMILES C[C@@H]1CC[C@]2(C)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@](COC(C)(O)/C=C/CC)(C)C(CC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@]2([H])[C@H]1C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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