input word = C00045638

Metabolite InformationStructural formula
Name Anguivioside XVI
(-)-Anguivioside XVI
Formula C51H80O23
Mw 1060.50903886
CAS RN 478035-46-0
C_ID C00045638 ,
InChIKey UIARJAYMUVTPIU-YPMKQWHNNA-N
InChICode InChI=1S/C51H80O23/c1-18-13-28(69-45(18)74-48-41(64)38(61)35(58)29(16-52)70-48)32(55)19(2)31-27(54)15-26-24-8-7-22-14-23(9-11-50(22,5)25(24)10-12-51(26,31)6)68-49-44(73-47-40(63)37(60)34(57)21(4)67-47)42(65)43(30(17-53)71-49)72-46-39(62)36(59)33(56)20(3)66-46/h7,18-21,23-26,28-31,33-49,52-53,56-65H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,28-,29-,30-,31+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45+,46+,47+,48+,49-,50+,51+/m1/s1
SMILES [C@H]1([C@H]([C@@H](O[C@H]([C@@H]1O)O[C@H]1[C@H](O)[C@H]([C@@H](O[C@@H]1CO)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC(=O)[C@@H]2[C@@H](C(=O)[C@H]2C[C@H]([C@@H](O2)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C)C)C)C1)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum anguivi Ref.
zoom in