input word = C00030538

Metabolite InformationStructural formula
Name Isomorellic acid
Formula C33H36O8
Mw 560.24101813
CAS RN 5262-69-1
C_ID C00030538 ,
InChIKey COVMVPHACFXMAX-LQUNETIYNA-N
InChICode InChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(34)23-25(35)21-14-18-15-22-31(6,7)41-32(28(18)36,13-10-17(3)29(37)38)33(21,22)40-27(20)23/h8,10-12,14,18,22,34H,9,13,15H2,1-7H3,(H,37,38)/b17-10+/t18-,22+,32+,33-/m1/s1
SMILES CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia gummi-gutta Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia morella Ref.
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