input word = C00018941

Metabolite InformationStructural formula
Name Lespedezol B1
5,6,2',4'-Tetrahydroxy-3-methyl-7-(3,7-dimethyl-2,6-octadienyl)-2-arylbenzofuran
Formula C25H28O5
Mw 408.193674
CAS RN 221231-83-0
C_ID C00018941 ,
InChIKey HGQFHBRDQMGDKQ-OVCLIPMQSA-N
InChICode InChI=1S/C25H28O5/c1-14(2)6-5-7-15(3)8-10-19-23(29)22(28)13-20-16(4)24(30-25(19)20)18-11-9-17(26)12-21(18)27/h6,8-9,11-13,26-29H,5,7,10H2,1-4H3/b15-8+
SMILES CC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc2c(C)c(-c3ccc(O)cc3O)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLespedeza homoloba Ref.
zoom in