input word = C00047249

Metabolite InformationStructural formula
Name Isomorellin
Formula C33H36O7
Mw 544.2461035
CAS RN 1064-71-7
C_ID C00047249 ,
InChIKey COQAPWLZSHQTKA-ZXUNCRFANA-N
InChICode InChI=1S/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3/b18-10+/t19-,23+,32+,33-/m1/s1
SMILES [C@@H]12C[C@H]3C=C4C(=O)c5c(O[C@@]14[C@](C3=O)(OC2(C)C)C/C=C(/C=O)\C)c(c1c(c5O)C=CC(O1)(C)C)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia morella Ref.
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OrganismGarcinia hanburyi
ReferenceTao,J.Nat.Prod.,72,(2009),117