input word = C00002967

Metabolite InformationStructural formula
Name Morellin
Formula C33H36O7
Mw 544.2461035
CAS RN 1183-12-6
C_ID C00002967 ,
InChIKey COQAPWLZSHQTKA-RVGSXHQKNA-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 c12c(c(c3c(c1CC=C(C)C)O[C@@]14C(=C[C@H]5C(=O)[C@@]1(OC([C@@H]4C5)(C)C)C/C=C(/C)\C=O)C3=O)O)C=CC(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia dulcis Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia morella Ref.
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OrganismGarcinia dulcis
ReferenceKhamthong, N. and Hutadilok-Towatana, N., Nat. Prod. Communications, 12, (2017), 453-460.