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 [C@@]1([C@@H]2[C@](CC[C@H]1C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(C[C@H]([C@@H](C1(C)C)O)OC(=O)C)C)C)C)C(=O)OC)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCecropiaceaeMusanga cecropioides Ref.
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