input word = C00003967

Metabolite InformationStructural formula
Name Agehoustin F
Formula C20H20O9
Mw 404.11073224
CAS RN 111316-38-2
C_ID C00003967 ,
InChIKey YJDFIUIKTFAMOM-UHFFFAOYSA-N
InChICode InChI=1S/C20H20O9/c1-24-13-6-9(10(21)7-14(13)25-2)12-8-11(22)15-16(23)18(26-3)20(28-5)19(27-4)17(15)29-12/h6-8,21,23H,1-5H3
SMILES c1(c(c(c2c(c1OC)oc(cc2=O)c1cc(c(cc1O)OC)OC)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratum houstonianum Ref.
PlantaeAsteraceaeAgeratum tomentosum Ref.
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