input word = C00045637

Metabolite InformationStructural formula
Name Anguivioside XI
(-)-Anguivioside XI
Formula C50H80O23
Mw 1048.50903886
CAS RN 478035-45-9
C_ID C00045637 ,
InChIKey RKECRWWERANOKJ-UJWUPKTQNA-N
InChICode InChI=1S/C50H80O23/c1-18-12-30(69-43(18)72-46-40(62)37(59)34(56)28(15-51)67-46)50(63)19(2)31-27(73-50)14-25-23-7-6-21-13-22(8-10-48(21,4)24(23)9-11-49(25,31)5)66-47-42(71-45-39(61)36(58)32(54)20(3)65-45)41(35(57)29(16-52)68-47)70-44-38(60)33(55)26(53)17-64-44/h6,18-20,22-47,51-63H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36-,37+,38-,39-,40-,41+,42-,43+,44+,45+,46+,47-,48+,49+,50+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@H]2[C@@H]([C@](O3)([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)O)C)C)C1)C)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum anguivi Ref.
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