input word = C00004867

Metabolite InformationStructural formula
Name Digicitrin
Formula C21H22O10
Mw 434.12129692
CAS RN 5065-10-1
C_ID C00004867 ,
InChIKey GIEYELPGDHOPHM-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O10/c1-25-11-8-9(7-10(22)16(11)26-2)15-18(27-3)13(23)12-14(24)19(28-4)21(30-6)20(29-5)17(12)31-15/h7-8,22,24H,1-6H3
SMILES c1(c(c(c2c(c1OC)oc(c(c2=O)OC)c1cc(c(c(c1)O)OC)OC)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia microcephala Ref.
PlantaeAsteraceaeGymnosperma glutinosum Ref.
PlantaePlantaginaceaeDigitalis purpurea Ref.
PlantaePolygonaceaePolygonum orientale Ref.
PlantaeRutaceaeZieridium pseudobtusifolium Ref.
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