input word = C00034733

Metabolite InformationStructural formula
Name Turrillianoside
Formula C39H62O14
Mw 754.41395669
CAS RN 943900-57-0
C_ID C00034733 ,
InChIKey GLANCWZQIQVJID-XDKLTXQNNA-N
InChICode InChI=1S/C39H62O14/c1-16-10-27(42)39(48-15-16)17(2)28-24(53-39)12-23-21-7-6-19-11-20(8-9-37(19,4)22(21)13-26(41)38(23,28)5)50-36-33(47)31(45)34(25(14-40)51-36)52-35-32(46)30(44)29(43)18(3)49-35/h6,16-18,20-36,40-47H,7-15H2,1-5H3/t16-,17-,18-,20-,21+,22-,23-,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39-/m0/s1
SMILES C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@@H]3[C@@H]2C)[C@@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica turrilliana Ref.
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OrganismVeronica turrilliana
ReferenceKostadinova,Phytochem.,68,(2007),1321