input word = C00003980

Metabolite InformationStructural formula
Name Agehoustin D
Formula C21H22O10
Mw 434.12129692
CAS RN 97564-58-4
C_ID C00003980 ,
InChIKey NZPHQXJGYPDNMC-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O10/c1-25-12-7-9(16(26-2)15(24)17(12)27-3)11-8-10(22)13-14(23)19(28-4)21(30-6)20(29-5)18(13)31-11/h7-8,23-24H,1-6H3
SMILES COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)c(OC)c(O)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratum houstonianum Ref.
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