input word = C00032706

Metabolite InformationStructural formula
Name Amurenoside B
(-)-Amurenoside B
Formula C43H48O23
Mw 932.25863784
CAS RN 297137-14-5
C_ID C00032706 ,
InChIKey XQSMSRSJNXQHLT-HQSKSJRENA-N
InChICode InChI=1S/C43H48O23/c1-15-29(50)33(54)36(57)41(60-15)66-40-35(56)31(52)26(14-59-42-39(34(55)30(51)16(2)61-42)64-27(49)9-5-17-4-7-21(46)24(10-17)58-3)63-43(40)65-38-32(53)28-23(48)12-19(44)13-25(28)62-37(38)18-6-8-20(45)22(47)11-18/h4-13,15-16,26,29-31,33-36,39-48,50-52,54-57H,14H2,1-3H3/b9-5+/t15-,16-,26+,29-,30-,31-,33+,34+,35-,36+,39+,40+,41-,42+,43-/m0/s1
SMILES O1[C@H]([C@@H]([C@H]([C@H]([C@H]1CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)OC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)Oc1c(oc2c(c1=O)c(cc(c2)O)O)c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia amurensis Ref.
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