input word = C00033080

Metabolite InformationStructural formula
Name Jasnudifloside L
(-)-Jasnudifloside L
Formula C50H74O28
Mw 1122.43666179
CAS RN 454211-10-0
C_ID C00033080 ,
InChIKey IVSNJPCWTDNKHQ-AKIPMZLJNA-N
InChICode InChI=1S/C50H74O28/c1-7-21-24(27(44(65)67-5)17-71-46(21)77-49-42(63)39(60)36(57)31(13-52)75-49)10-33(54)69-16-26-20(4)29(9-23(26)19(3)15-70-48-41(62)38(59)35(56)30(12-51)74-48)73-34(55)11-25-22(8-2)47(72-18-28(25)45(66)68-6)78-50-43(64)40(61)37(58)32(14-53)76-50/h7-8,17-20,23-26,29-32,35-43,46-53,56-64H,9-16H2,1-6H3/b21-7+,22-8+/t19-,20-,23+,24+,25-,26+,29+,30-,31-,32-,35-,36-,37-,38+,39+,40+,41-,42-,43-,46+,47+,48-,49+,50+/m1/s1
SMILES [C@H]1([C@@H]([C@@H](C[C@@H]1OC(=O)C[C@@H]1/C(=C\C)/[C@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC=C1C(=O)OC)[C@@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)COC(=O)C[C@@H]1C(=CO[C@H](/C/1=C/C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum nudiflorum Ref.
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OrganismJasminum nudiflorum
ReferenceTakenaka,Chem.Pharm.Bull.,50,(2002),384