input word = C00049227

Metabolite InformationStructural formula
Name Methyl 2-acetyltormentate
Formula C33H52O6
Mw 544.37638939
CAS RN 77820-51-0
C_ID C00049227 ,
InChIKey WDLTZQAZOXFRGL-UPNMRJLJNA-N
InChICode InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(39-20(2)34)26(35)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23+,24-,25-,26+,29+,30-,31-,32-,33+/m1/s1
SMILES COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCecropiaceaeMusanga cecropioides Ref.
zoom in