input word = C00007012

Metabolite InformationStructural formula
Name Praecansone B
Formula C22H22O5
Mw 366.14672381
CAS RN 74517-75-2
C_ID C00007012 ,
InChIKey TUJSKSRZFNAELN-VBKFSLOCSA-N
InChICode InChI=1S/C22H22O5/c1-22(2)11-10-15-18(27-22)13-19(25-3)20(21(15)26-4)17(24)12-16(23)14-8-6-5-7-9-14/h5-13,23H,1-4H3/b16-12-
SMILES c12c(c(c(c(c1)OC)C(=O)/C=C(/c1ccccc1)\O)OC)C=CC(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePongamia pinnata Ref.
PlantaeFabaceaeTephrosia aequilata Ref.
PlantaeFabaceaeTephrosia praecana Ref.
PlantaeFabaceaeTephrosia praecans Brummitt Ref.
PlantaeFabaceaeTephrosia pumila Ref.
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OrganismTephrosia pumila
ReferenceVenkataratnam,J. Chem. Soc. Perkin Trans. I,(1987),2723