input word = C00055492

Metabolite InformationStructural formula
Name Alkesterol A
Formula C28H44O2
Mw 412.33413065
CAS RN 1309354-28-6
C_ID C00055492
InChIKey IYRRXBQAMIZAAC-AXUIOSBSSA-N
InChICode InChI=1S/C28H44O2/c1-17-14-19(16-28(17,5)30)18(2)23-8-9-24-22-7-6-20-15-21(29)10-12-26(20,3)25(22)11-13-27(23,24)4/h6,18-19,21-25,29-30H,1,7-16H2,2-5H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-,28-/m1/s1
SMILES C=C1C[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis pubeacens Ref.
zoom in