input word = C00004950

Metabolite InformationStructural formula
Name Kaempferide 3-O-sulfate
Formula C16H12O9S
Mw 380.02020271
CAS RN 130827-47-3
C_ID C00004950 ,
InChIKey KKQNMUQBVWQILU-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O9S/c1-23-10-4-2-8(3-5-10)15-16(25-26(20,21)22)14(19)13-11(18)6-9(17)7-12(13)24-15/h2-7,17-18H,1H3,(H,20,21,22)
SMILES c1(cc(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTamaricaceaeTamarix africana Ref.
PlantaeTamaricaceaeTamarix bobeana Ref.
PlantaeTamaricaceaeTamarix gallica Ref.
zoom in