input word = C00031892

Metabolite InformationStructural formula
Name Isoapetalic methyl ester
(-)-Isoapetalic methyl ester
Formula C23H30O6
Mw 402.20423869
CAS RN 34336-10-2
C_ID C00031892 ,
InChIKey JDIQSGWDOULBFU-IGYFNUTDNA-N
InChICode InChI=1S/C23H30O6/c1-7-8-14(11-16(24)27-6)17-21-15(9-10-23(4,5)29-21)20(26)18-19(25)12(2)13(3)28-22(17)18/h9-10,12-14,26H,7-8,11H2,1-6H3/t12-,13+,14-/m1/s1
SMILES CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum blancoi Ref.
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