input word = C00035183

Metabolite InformationStructural formula
Name Columbianetin acetate
Formula C16H16O5
Mw 288.09977362
CAS RN 23180-65-6
C_ID C00035183 ,
InChIKey IQTTZQQJJBEAIM-UGPWUYPHNA-N
InChICode InChI=1S/C16H16O5/c1-9(17)21-16(2,3)13-8-11-12(19-13)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3/t13-/m0/s1
SMILES CC(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeTordylium apulum Ref.
PlantaeRutaceaeMurraya siamensis Ref.
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