input word = C00004785

Metabolite InformationStructural formula
Name Grantioidinin
2-(2,5-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Formula C21H22O9
Mw 418.1263823
CAS RN 135755-50-9
C_ID C00004785 ,
InChIKey YLDLSFKRVJHNKM-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O9/c1-24-10-7-8-12(25-2)11(9-10)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3
SMILES c1(c(c(c2c(c1OC)oc(c(c2=O)OC)c1cc(ccc1OC)OC)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula grantioides Ref.
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