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 Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]([C@H](O)c3ccc(O)cc3)[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora davidii Ref.
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