input word = C00034734

Metabolite InformationStructural formula
Name Turrillioside A
Formula C35H46O20
Mw 786.25824391
CAS RN 943900-55-8
C_ID C00034734 ,
InChIKey BKESKOXPMZUPRR-OEYNVYKANA-N
InChICode InChI=1S/C35H46O20/c1-14-31(55-35-28(46)25(43)24(42)21(12-36)52-35)26(44)29(47)34(51-14)50-13-22-32(54-23(41)7-4-15-2-5-17(37)19(39)10-15)27(45)30(48)33(53-22)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica turrilliana Ref.
zoom in