input word = C00019668

Metabolite InformationStructural formula
Name 4'-Demethyltoxicarol
5,4'-Dihydroxy-2',5'-dimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone
Formula C22H20O7
Mw 396.12090299
CAS RN 90486-63-8
C_ID C00019668 ,
InChIKey LKQBEBUFBFOQAS-UHFFFAOYSA-N
InChICode InChI=1S/C22H20O7/c1-22(2)6-5-11-17(29-22)9-15(24)19-20(25)13(10-28-21(11)19)12-7-18(27-4)14(23)8-16(12)26-3/h5-10,23-24H,1-4H3
SMILES c12cc(c3c(c1C=CC(O2)(C)C)occ(c3=O)c1cc(c(cc1OC)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia brandisiana Ref.
PlantaeFabaceaeTephrosia polyphylla Ref.
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OrganismTephrosia polyphylla
ReferenceDagne,Phytochem.,31,(1992),3662