C00002576 - Iris japonica
C_ID C00002576
CAS RN 611-40-5
Metabolite Tectoridin;Shekanin;Shekkanin;Tectorigenin 7-O-glucoside
Molecular Formula C22H22O11
Organism Iris japonica
Kingdom Plantae
Family Iridaceae
Genus Iris
SMILES c1(c(c(c2c(c1)occ(c2=O)c1ccc(cc1)O)O)OC)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
InChI InChI=1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17+,19-,20-,22+/m0/s1
InChIKey CNOURESJATUGPN-PDERMTCINA-N
Reference Minami,Phytochem.,41,(1996),1219
Structural formula image