input word = C00040385

Metabolite InformationStructural formula
Name Stauntoside B
(-)-Stauntoside B
Formula C40H58O15
Mw 778.37757118
CAS RN 261636-66-2
C_ID C00040385 ,
InChIKey XRWWJGGSZAGWSN-GELQSMTHNA-N
InChICode InChI=1S/C40H58O15/c1-18-34(43)28(46-6)16-32(48-18)54-36-20(3)50-31(15-27(36)42)53-35-19(2)49-30(14-26(35)41)51-22-11-12-39(4)21(13-22)7-8-23-25(39)10-9-24-33-29(52-37(23)44)17-47-40(33,5)55-38(24)45/h7,9,18-20,22-23,25-36,41-43H,8,10-17H2,1-6H3/b24-9-/t18-,19+,20+,22-,23+,25-,26+,27-,28+,29+,30-,31-,32-,33+,34-,35+,36+,39-,40+/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C/C=C/1\[C@@H]2[C@H](OC3=O)CO[C@@]2(OC1=O)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)O)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum stauntoi Ref.
PlantaeApocynaceaeCynanchum stauntonii Ref.
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OrganismCynanchum stauntoi
ReferenceZhu,Phytochem.,52,(1999),1351