input word = C00050654

Metabolite InformationStructural formula
Name 1-O-Methylichangensin
Formula C26H34O7
Mw 458.23045344
CAS RN 349112-60-3
C_ID C00050654
InChIKey VJXUJFAZXQOXMJ-SWWKEHDINA-N
InChICode InChI=1S/C26H34O7/c1-21(2)16-12-17(27)24(5)15(23(16,4)25(6,29-7)33-21)8-10-22(3)18(14-9-11-30-13-14)31-20(28)19-26(22,24)32-19/h9,11,13,15-16,18-19H,8,10,12H2,1-7H3/t15-,16+,18+,19-,22+,23-,24+,25+,26-/m1/s1
SMILES CO[C@@]1(C)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]543)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeCitrus sudachii Ref.
zoom in