input word = C00051543

Metabolite InformationStructural formula
Name Mesuanic acid
Formula C35H46O6
Mw 562.3294392
CAS RN 55303-94-1
C_ID C00051543
InChIKey FWHRZFJQFSGDMP-UHFFFAOYNA-N
InChICode InChI=1S/C35H46O6/c1-20(2)14-15-26(22(5)6)19-35(17-16-21(3)4)33(40)29(27(18-28(36)37)25-12-10-9-11-13-25)32(39)30-31(38)23(7)24(8)41-34(30)35/h9-13,16,20,23-24,27,39H,14-15,17-19H2,1-8H3,(H,36,37)
SMILES CC(C)=CCC1(CC(CCC(C)C)=C(C)C)C(=O)C(C(COC=O)c2ccccc2)=C(O)C2=C1OC(C)C(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae-GuttiferaeMesua ferrea Ref.
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