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 COC(OC)/C(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@]431)OC(C)(C)C=C6)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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