input word = C00003969

Metabolite InformationStructural formula
Name Agecorynin C
Formula C22H24O9
Mw 432.14203237
CAS RN 70460-31-0
C_ID C00003969 ,
InChIKey GQZBZQRNQGILGI-UHFFFAOYSA-N
InChICode InChI=1S/C22H24O9/c1-24-13-10-16(26-3)15(25-2)8-11(13)14-9-12(23)17-18(27-4)20(28-5)22(30-7)21(29-6)19(17)31-14/h8-10H,1-7H3
SMILES c1(c(c(c2c(c1OC)oc(cc2=O)c1cc(c(cc1OC)OC)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratum corymbosum Ref.
PlantaeAsteraceaeAgeratum tomentosum Ref.
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