input word = C00004549

Metabolite InformationStructural formula
Name Alnustin
Formula C18H16O6
Mw 328.09468824
CAS RN 32483-98-0
C_ID C00004549 ,
InChIKey GJNBMHAJVZLBEQ-UHFFFAOYSA-N
InChICode InChI=1S/C18H16O6/c1-21-12-9-11-13(14(19)17(12)22-2)15(20)18(23-3)16(24-11)10-7-5-4-6-8-10/h4-9,19H,1-3H3
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccccc1)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchyrocline albicans Ref.
PlantaeAsteraceaeAchyrocline satureoides var.albicans Ref.
PlantaeBetulaceaeAlnus sieboldiana Ref.
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