input word = C00008346

Metabolite InformationStructural formula
Name Agecorynin A
Formula C20H20O8
Mw 388.11581762
CAS RN 77053-46-4
C_ID C00008346 ,
InChIKey HTRVCOZULPJGLN-UHFFFAOYNA-N
InChICode InChI=1S/C20H20O8/c1-22-14-5-10(6-16-18(14)27-9-26-16)12-7-11(21)17-13(28-12)8-15(23-2)19(24-3)20(17)25-4/h5-6,8,12H,7,9H2,1-4H3/t12-/m1/s1
SMILES c1(c(c(c2c(c1)O[C@H](CC2=O)c1cc2c(c(c1)OC)OCO2)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratum corymbosum Ref.
PlantaeAsteraceaeAgeratum tomentosum Ref.
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