C00004266 - Hymenaea palustris Ducke
C_ID C00004266
CAS RN 5373-11-5
Metabolite Cinaroside
Molecular Formula C21H20O11
Organism Hymenaea palustris Ducke
Kingdom Plantae
Family Fabaceae
Genus Hymenaea
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
InChIKey PEFNSGRTCBGNAN-OHPGNTIMNA-N
Reference Pettit,J.Nat.Prod.,66,(2003),259
Structural formula image