input word = C00008347

Metabolite InformationStructural formula
Name Agecorynin B
Formula C21H22O9
Mw 418.1263823
CAS RN 77053-47-5
C_ID C00008347 ,
InChIKey PKKWZACWYPOGSA-UHFFFAOYNA-N
InChICode InChI=1S/C21H22O9/c1-23-13-6-10(7-14-16(13)29-9-28-14)12-8-11(22)15-17(24-2)19(25-3)21(27-5)20(26-4)18(15)30-12/h6-7,12H,8-9H2,1-5H3/t12-/m0/s1
SMILES c1(c(c(c2c(c1OC)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.
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