input word = C00031890

Metabolite InformationStructural formula
Name Isoapetalic acid
Formula C22H28O6
Mw 388.18858863
CAS RN 34366-34-2
C_ID C00031890 ,
InChIKey JZWLSXINEVHWEP-JKEUNINMNA-N
InChICode InChI=1S/C22H28O6/c1-6-7-13(10-15(23)24)16-20-14(8-9-22(4,5)28-20)19(26)17-18(25)11(2)12(3)27-21(16)17/h8-9,11-13,26H,6-7,10H2,1-5H3,(H,23,24)/t11-,12+,13-/m1/s1
SMILES c12c(c(c3c(c1[C@@H](CC(=O)O)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.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum calendonicum Ref.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum pinetorum Ref.
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OrganismCalophyllum calendonicum
ReferenceSHEN, et al., Chem Pharm Bull, 52, (2004), 402.

Hay, et al., Planta Med, 69, (2003), 1030