C00006125 - Iris japonica
C_ID C00006125
CAS RN 6991-10-2
Metabolite Swertisin;6-beta-D-Glucopyranosyl-4',5-dihydroxy-7-methoxyflavone;7-O-Methylapigenin 6-C-beta-D-glucopyranoside;Flavocommelitin;6-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
Molecular Formula C22H22O10
Organism Iris japonica
Kingdom Plantae
Family Iridaceae
Genus Iris
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)OC
InChI InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3/t15-,18+,20-,21+,22-/m0/s1
InChIKey ABRULANJVVJLFI-FPRNEBIWNA-N
Reference Harborne, The Handbook of Natural Flavonoids, 1, (1999), 549,C-glycosylflavones;Komatsu,Tetrahedron Lett.,(1966),1611;Bouillant,APhytochem.,11,(1972),1858
Structural formula image