input word = C00033073

Metabolite InformationStructural formula
Name Jasnudifloside E
(-)-Jasnudifloside E
Formula C44H64O23
Mw 960.38383835
CAS RN 297740-96-6
C_ID C00033073 ,
InChIKey XIWWQRZPJXTMEF-PWOSFFANNA-N
InChICode InChI=1S/C44H64O23/c1-7-20-23(26(39(56)58-5)16-62-41(20)66-43-37(54)35(52)33(50)29(12-45)64-43)10-31(48)60-14-18(3)22-9-28(47)19(4)25(22)15-61-32(49)11-24-21(8-2)42(63-17-27(24)40(57)59-6)67-44-38(55)36(53)34(51)30(13-46)65-44/h7-8,16-19,22-25,28-30,33-38,41-47,50-55H,9-15H2,1-6H3/b20-7+,21-8+/t18-,19+,22-,23-,24-,25-,28-,29+,30+,33+,34+,35-,36-,37+,38+,41-,42-,43-,44-/m0/s1
SMILES O1C=C([C@H](/C(=C\C)/[C@@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CC(=O)OC[C@@H]([C@H]1[C@H]([C@H]([C@@H](O)C1)C)COC(=O)C[C@@H]1C(=CO[C@H](/C/1=C/C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)OC)C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum nudiflorum Ref.
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