input word = C00033254

Metabolite InformationStructural formula
Name Nudifloside A
(-)-Nudifloside A
Formula C44H64O23
Mw 960.38383835
CAS RN 297740-97-7
C_ID C00033254 ,
InChIKey VCJYHQPAJJKWLH-XHKRRULKNA-N
InChICode InChI=1S/C44H64O23/c1-7-20-22(25(39(56)58-5)16-61-41(20)66-43-37(54)35(52)33(50)28(13-46)64-43)10-30(48)60-15-24-18(3)9-27(32(24)19(4)12-45)63-31(49)11-23-21(8-2)42(62-17-26(23)40(57)59-6)67-44-38(55)36(53)34(51)29(14-47)65-44/h7-8,16-19,22-24,27-29,32-38,41-47,50-55H,9-15H2,1-6H3/b20-7+,21-8+/t18-,19-,22-,23-,24+,27-,28+,29+,32-,33+,34+,35-,36-,37+,38+,41-,42-,43-,44-/m0/s1
SMILES [C@H]1([C@H](C[C@@H]([C@H]1[C@H](CO)C)OC(=O)C[C@H]1/C(=C\C)/[C@@H](OC=C1C(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)COC(=O)C[C@H]1/C(=C\C)/[C@@H](OC=C1C(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum nudiflorum Ref.
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