input word = C00005646

Metabolite InformationStructural formula
Name Patuletin 3-gentiobioside
Patuletin-3-O-beta-D-gentiobioside
Formula C28H32O18
Mw 656.15886422
CAS RN 101021-28-7
C_ID C00005646 ,
InChIKey WRDDFOFFQDOVRV-LCQDUQQVNA-N
InChICode InChI=1S/C28H32O18/c1-41-25-11(32)5-12-15(18(25)35)19(36)26(24(43-12)8-2-3-9(30)10(31)4-8)46-28-23(40)21(38)17(34)14(45-28)7-42-27-22(39)20(37)16(33)13(6-29)44-27/h2-5,13-14,16-17,20-23,27-35,37-40H,6-7H2,1H3/t13-,14-,16-,17-,20+,21-,22-,23-,27-,28+/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)c1ccc(c(c1)O)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeEriocaulaceaeEriocaulon buergerianum Ref.
zoom in