input word = C00015873

Metabolite InformationStructural formula
Name Sophoraflavanone J
(-)-Sophoraflavanone J
Formula C39H38O9
Mw 650.25158281
CAS RN 136997-70-1
C_ID C00015873 ,
InChIKey HGAVBJNGLNPLEE-FRBGMIEXNA-N
InChICode InChI=1S/C39H38O9/c1-19(2)5-11-26-36(45)27(12-6-20(3)4)39-35(37(26)46)31(44)18-32(48-39)28-16-29-33(17-30(28)43)47-38(21-7-9-23(40)10-8-21)34(29)22-13-24(41)15-25(42)14-22/h5-10,13-17,32,34,38,40-43,45-46H,11-12,18H2,1-4H3/t32-,34+,38-/m0/s1
SMILES c1(c(c(c2c(c1CC=C(C)C)O[C@@H](CC2=O)c1cc2c(cc1O)O[C@H]([C@@H]2c1cc(cc(c1)O)O)c1ccc(cc1)O)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora moorcroftiana Ref.
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OrganismSophora moorcroftiana
ReferenceShirataki,Chem.Pharm.Bull.,39,(1991),1568