input word = C00037005

Metabolite InformationStructural formula
Name Davidiol B
Formula C42H34O10
Mw 698.21519731
CAS RN 174158-75-9
C_ID C00037005 ,
InChIKey UAFPJINRIKXWOZ-WAWVISCUNA-N
InChICode InChI=1S/C42H34O10/c43-24-7-1-20(2-8-24)35-37-31(16-29(48)18-33(37)50)40(41(51)21-3-9-25(44)10-4-21)39(35)32-17-30(49)19-34-38(32)36(23-13-27(46)15-28(47)14-23)42(52-34)22-5-11-26(45)12-6-22/h1-19,35-36,39-51H/t35-,36+,39+,40+,41+,42-/m0/s1
SMILES c12c([C@@H]([C@H]([C@@H]1[C@@H](c1ccc(cc1)O)O)c1c3c(cc(c1)O)O[C@H]([C@@H]3c1cc(cc(c1)O)O)c1ccc(cc1)O)c1ccc(cc1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora davidii Ref.
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