input word = C00020273

Metabolite InformationStructural formula
Name Ascaside
Formula C33H40O19
Mw 740.2163791
CAS RN 57576-53-1
C_ID C00020273 ,
InChIKey PEYCCXIJDVFIQH-UHWKVAIINA-N
InChICode InChI=1S/C33H40O19/c1-10-19(38)22(41)24(43)31(46-10)50-28-17(9-34)49-33(26(45)30(28)52-32-25(44)23(42)20(39)11(2)47-32)51-29-21(40)18-15(37)7-14(36)8-16(18)48-27(29)12-3-5-13(35)6-4-12/h3-8,10-11,17,19-20,22-26,28,30-39,41-45H,9H2,1-2H3/t10-,11+,17+,19-,20-,22+,23+,24-,25-,26+,28-,30-,31-,32-,33-/m0/s1
SMILES CC1O[C@@H](O[C@@H]2C(O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)OC(CO)[C@@H]2O[C@@H]2OC(C)[C@H](O)[C@@H](O)C2O)C(O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstracantha caucasica Ref.
PlantaeFabaceaeAstragalus caucasicus Ref.
zoom in