input word = C00053510

Metabolite InformationStructural formula
Name Morellin dimethyl acetal
Formula C35H42O8
Mw 590.28796832
CAS RN 173614-92-1
C_ID C00053510
InChIKey AJLGRJVSWSANNB-BBLQHHSKSA-N
InChICode InChI=1S/C35H42O8/c1-18(2)10-11-22-28-21(13-14-32(4,5)41-28)26(36)25-27(37)23-16-20-17-24-33(6,7)43-34(30(20)38,35(23,24)42-29(22)25)15-12-19(3)31(39-8)40-9/h10,12-14,16,20,24,31,36H,11,15,17H2,1-9H3/b19-12-/t20-,24+,34+,35-/m1/s1
SMILES C/C(C(OC)OC)=C/C[C@@]1([C@@]2(O3)C(C(C4=C3C(C/C=C(C)C)=C(OC(C)(C)C=C5)C5=C4O)=O)=C[C@@H]6C[C@H]2C(C)(C)O1)C6=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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