input word = C00051359

Metabolite InformationStructural formula
Name Lycernuic ketone A
Formula C31H48O6
Mw 516.34508926
CAS RN 448260-77-3
C_ID C00051359
InChIKey WWVFRAVFOHSRSP-GSGCONCDNA-N
InChICode InChI=1S/C31H48O6/c1-27-12-9-22-29(3,14-11-24(35)31(22,5)26(36)37-6)21(27)8-7-19-18(16-27)15-20(33)25-28(19,2)13-10-23(34)30(25,4)17-32/h15,19,21-25,32,34-35H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24-,25+,27-,28+,29+,30-,31+/m0/s1
SMILES COC(=O)[C@]1(C)[C@@H]2CC[C@@]3(C)CC4=CC(=O)[C@@H]5[C@](C)(CC[C@@H](O)[C@]5(C)CO)[C@H]4CC[C@@H]3[C@@]2(C)CC[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLycopodiaceaeLycopodium cernuum Ref.
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