input word = C00037834

Metabolite InformationStructural formula
Name Sophoraflavoside II
Formula C48H76O20
Mw 972.49299487
CAS RN 147540-80-5
C_ID C00037834 ,
InChIKey JCHUCLMYSKXMOY-UHFFFAOYNA-N
InChICode InChI=1S/C48H76O20/c1-20-28(52)30(54)34(58)39(63-20)67-36-31(55)29(53)23(18-49)64-40(36)68-37-33(57)32(56)35(38(59)60)66-41(37)65-27-11-12-45(4)24(46(27,5)19-50)10-13-48(7)25(45)9-8-21-22-16-43(2,42(61)62)17-26(51)44(22,3)14-15-47(21,48)6/h8,20,22-37,39-41,49-58H,9-19H2,1-7H3,(H,59,60)(H,61,62)/t20-,22-,23+,24-,25+,26+,27-,28+,29-,30+,31-,32+,33+,34-,35+,36+,37-,39+,40-,41+,43-,44-,45+,46-,47+,48-/m0/s1
SMILES [C@@]1(C[C@H]([C@@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(CC[C@H]1[C@]3(CC[C@@H]([C@]1(CO)C)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)C)C)C)C)O)(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus shikokianus Ref.
PlantaeFabaceaeSophora flavescens Ref.
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