input word = C00003968

Metabolite InformationStructural formula
Name Agehoustin E
Formula C21H22O9
Mw 418.1263823
CAS RN 111316-37-1
C_ID C00003968 ,
InChIKey WEZNCEOIPZBRTB-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O9/c1-24-12-9-15(26-3)14(25-2)7-10(12)13-8-11(22)16-17(23)19(27-4)21(29-6)20(28-5)18(16)30-13/h7-9,23H,1-6H3
SMILES c1(c(c(c2c(c1OC)oc(cc2=O)c1cc(c(cc1OC)OC)OC)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratum houstonianum Ref.
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