input word = C00036027

Metabolite InformationStructural formula
Name Abutiloside N
(-)-Abutiloside N
Formula C51H82O24
Mw 1078.51960355
CAS RN 652144-60-0
C_ID C00036027 ,
InChIKey IZVFEOLKXSRPKM-SQZUCOISNA-N
InChICode InChI=1S/C51H82O24/c1-19-31-26(74-51(19)11-10-48(3,75-51)18-66-44-39(63)37(61)33(57)27(15-52)69-44)14-24-30-23(7-9-50(24,31)5)49(4)8-6-22(12-21(49)13-25(30)55)68-47-43(73-45-40(64)36(60)32(56)20(2)67-45)42(35(59)29(17-54)71-47)72-46-41(65)38(62)34(58)28(16-53)70-46/h13,19-20,22-47,52-65H,6-12,14-18H2,1-5H3/t19-,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-,51-/m0/s1
SMILES O1[C@@]2([C@H]([C@H]3[C@@H]1C[C@@H]1[C@@]3(CC[C@H]3[C@H]1[C@@H](C=C1[C@@]3(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO)C)O)C)C)CC[C@](O2)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum abutiloides Ref.
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