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 c12c(c(c3c(c1[C@@H](CC(=O)OC)CCC)OC(C=C3)(C)C)O)C(=O)[C@@H]([C@@H](O2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum blancoi Ref.
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OrganismCalophyllum blancoi
ReferenceShen,Chem.Pharm.Bull.,52,(2004).402