input word = C00034830

Metabolite InformationStructural formula
Name Craigoside B
(-)-Craigoside B
Formula C44H64O24
Mw 976.37875298
CAS RN 878760-60-2
C_ID C00034830 ,
InChIKey GRSXDODWOZXZCE-LBPDHPLGNA-N
InChICode InChI=1S/C44H64O24/c1-6-20-22(25(39(57)59-4)16-62-41(20)67-43-37(55)35(53)33(51)28(13-47)65-43)9-30(49)61-15-24-18(3)8-27(32(24)19(11-45)12-46)64-31(50)10-23-21(7-2)42(63-17-26(23)40(58)60-5)68-44-38(56)36(54)34(52)29(14-48)66-44/h6-7,16-19,22-24,27-29,32-38,41-48,51-56H,8-15H2,1-5H3/b20-6+,21-7+/t18-,22-,23-,24+,27-,28+,29+,32-,33+,34+,35-,36-,37+,38+,41-,42-,43-,44-/m0/s1
SMILES [C@@H]1(C[C@@H]([C@H]([C@@H]1COC(=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(CO)CO)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum abyssinicum Ref.
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