input word = C00033255

Metabolite InformationStructural formula
Name Nudifloside B
(-)-Nudifloside B
Formula C43H60O22
Mw 928.3576236
CAS RN 297740-98-8
C_ID C00033255 ,
InChIKey MTAJKOPZPBBTGY-LPJKNOHTNA-N
InChICode InChI=1S/C43H60O22/c1-6-19-21-9-29(46)57-14-23-17(3)8-26(31(23)18(4)13-58-39(55)25(21)16-60-40(19)64-42-36(52)34(50)32(48)27(11-44)62-42)61-30(47)10-22-20(7-2)41(59-15-24(22)38(54)56-5)65-43-37(53)35(51)33(49)28(12-45)63-43/h6-7,15-18,21-23,26-28,31-37,40-45,48-53H,8-14H2,1-5H3/b19-6+,20-7+/t17-,18-,21-,22-,23+,26-,27+,28+,31-,32+,33+,34-,35-,36+,37+,40-,41-,42-,43-/m0/s1
SMILES [C@@H]12[C@H](COC(=O)C[C@@H]3C(=CO[C@H](/C/3=C/C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC[C@@H]1C)[C@H](C[C@@H]2OC(=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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum nudiflorum Ref.
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