input word = C00058571

Metabolite InformationStructural formula
Name Leachianol A
Formula C42H32O9
Mw 680.20463262
CAS RN 163565-62-6
C_ID C00058571
InChIKey CBHHCNGVCZOASN-UHFFFAOYSA-N
InChICode InChI=1S/C42H32O9/c43-22-7-1-18(2-8-22)30-33(21-13-25(46)15-26(47)14-21)39-37-36-31(19-3-9-23(44)10-4-19)34-28(16-27(48)17-29(34)49)35(36)32(20-5-11-24(45)12-6-20)38(37)41(50)40(30)42(39)51/h1-17,30-33,35-36,39-40,43-49H
SMILES O=C1C2=C(C3C(=O)C1C(c1ccc(O)cc1)C3c1cc(O)cc(O)c1)C1C(c3ccc(O)cc3)c3c(O)cc(O)cc3C1C2c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora leachiana Ref.
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