input word = C00005357

Metabolite InformationStructural formula
Name Sexangularetin 3-sophoroside
Formula C28H32O17
Mw 640.1639496
CAS RN 114882-17-6
C_ID C00005357 ,
InChIKey MFWGLPLRRMATKY-WIZTVOGHNA-N
InChICode InChI=1S/C28H32O17/c1-40-23-12(33)6-11(32)15-18(36)25(22(43-24(15)23)9-2-4-10(31)5-3-9)44-28-26(20(38)17(35)14(8-30)42-28)45-27-21(39)19(37)16(34)13(7-29)41-27/h2-6,13-14,16-17,19-21,26-35,37-39H,7-8H2,1H3/t13-,14+,16-,17-,19+,20+,21-,26+,27+,28?/m1/s1
SMILES COc1c(O)cc(O)c2c(=O)c(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O[C@@H]3OC(CO)[C@@H](O)C(O)[C@H]3O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia tenuifolia Ref.
PlantaeRosaceaePotentilla anserina Ref.
PlantaeRosaceaePrunus amygdalus Ref.
zoom in