input word = C00019157

Metabolite InformationStructural formula
Name Thonningin C
4-Hydroxy-5,3',4'-trimethoxy-5''-(1-methylethenyl)-4'',5''-dihydrofurano[2'',3'':7,6]-3-phenylcoumarin
Formula C24H22O8
Mw 438.13146768
CAS RN 246510-82-7
C_ID C00019157 ,
InChIKey LREPZESSDJCNNE-UHFFFAOYSA-N
InChICode InChI=1S/C24H22O8/c1-11(2)21-23(30-6)19-16(31-21)10-15-18(22(19)29-5)20(25)17(24(26)32-15)12-7-8-13(27-3)14(9-12)28-4/h7-10,25H,1H2,2-6H3
SMILES c12c(c(c3c(c1)oc(=O)c(c3O)c1ccc(c(c1)OC)OC)OC)c(c(o2)C(=C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia thonningii Ref.
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