input word = C00050134

Metabolite InformationStructural formula
Name Jasuroside B
(-)-Jasuroside B
Formula C61H86O33
Mw 1346.50513528
CAS RN 190896-94-7
C_ID C00050134 ,
InChIKey RMDFMCLBZOVSDV-CEEOEJKKNA-N
InChICode InChI=1S/C61H86O33/c1-9-26-30(34(53(77)80-6)21-85-56(26)92-59-50(74)47(71)44(68)38(16-62)89-59)13-41(65)83-19-24(4)29-12-37(88-43(67)15-32-28(11-3)58(87-23-36(32)55(79)82-8)94-61-52(76)49(73)46(70)40(18-64)91-61)25(5)33(29)20-84-42(66)14-31-27(10-2)57(86-22-35(31)54(78)81-7)93-60-51(75)48(72)45(69)39(17-63)90-60/h9-11,21-25,29-33,37-40,44-52,56-64,68-76H,12-20H2,1-8H3/b26-9+,27-10+,28-11+/t24-,25-,29-,30-,31-,32-,33-,37-,38+,39+,40+,44+,45+,46+,47-,48-,49-,50+,51+,52+,56-,57-,58-,59-,60-,61-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1OC=C([C@H](/C/1=C\C)CC(=O)OC[C@@H]1[C@@H](C[C@@H]([C@H]1C)OC(=O)C[C@H]1/C(=C\C)/[C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@H](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)C(=O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum urophyllum Ref.
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