input word = C00018943

Metabolite InformationStructural formula
Name Lespedezol B3
Formula C40H36O9
Mw 660.23593275
CAS RN 221208-47-5
C_ID C00018943 ,
InChIKey DMXCZIUMBYRKQW-QPSGOUHRSA-N
InChICode InChI=1S/C40H36O9/c1-20(2)5-4-6-21(3)7-10-27-37(46)34(45)17-29-28(38(49-39(27)29)26-12-9-23(41)15-33(26)44)13-22-14-30-35(18-32(22)43)47-19-31-25-11-8-24(42)16-36(25)48-40(30)31/h5,7-9,11-12,14-18,41-46H,4,6,10,13,19H2,1-3H3/b21-7+
SMILES c1c(cc2c(c1)c1c(o2)c2c(OC1)cc(c(c2)Cc1c(oc2c1cc(c(c2C/C=C(/CCC=C(C)C)\C)O)O)c1c(cc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLespedeza homoloba Ref.
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