input word = C00031891

Metabolite InformationStructural formula
Name Isoapetalic acid 5-O-acetate
Formula C24H30O7
Mw 430.19915331
CAS RN 738627-55-9
C_ID C00031891 ,
InChIKey ZFZNPTWZVSMXSK-ZECJTJDJNA-N
InChICode InChI=1S/C24H30O7/c1-7-8-15(11-17(26)27)18-22-16(9-10-24(5,6)31-22)21(30-14(4)25)19-20(28)12(2)13(3)29-23(18)19/h9-10,12-13,15H,7-8,11H2,1-6H3,(H,26,27)/t12-,13+,15-/m1/s1
SMILES c12c(c(c3c(c1[C@@H](CC(=O)O)CCC)OC(C=C3)(C)C)OC(=O)C)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