input word = C00050811

Metabolite InformationStructural formula
Name Ichangensin
Formula C25H32O7
Mw 444.21480338
CAS RN 115777-76-9
C_ID C00050811
InChIKey AOULXGJOCGWMQS-UHFFFAOYNA-N
InChICode InChI=1S/C25H32O7/c1-20(2)15-11-16(26)23(5)14(22(15,4)24(6,28)32-20)7-9-21(3)17(13-8-10-29-12-13)30-19(27)18-25(21,23)31-18/h8,10,12,14-15,17-18,28H,7,9,11H2,1-6H3
SMILES CC1(C)OC(C)(O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus ichangensis Ref.
PlantaeRutaceaeCitrus sudachii Ref.
zoom in