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 c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H](O[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)C)[C@H](O1)CO)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstracantha caucasica Ref.
PlantaeFabaceaeAstragalus caucasicus Ref.
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