input word = C00004948

Metabolite InformationStructural formula
Name Kaempferol 3,7,4'-tri-O-sulfate
Formula C15H10O15S3
Mw 525.91818184
CAS RN 79174-98-4
C_ID C00004948 ,
InChIKey PCYBUYVULWMAJX-UHFFFAOYSA-N
InChICode InChI=1S/C15H10O15S3/c16-10-5-9(29-32(21,22)23)6-11-12(10)13(17)15(30-33(24,25)26)14(27-11)7-1-3-8(4-2-7)28-31(18,19)20/h1-6,16H,(H,18,19,20)(H,21,22,23)(H,24,25,26)
SMILES c1(cc(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(cc1)OS(=O)(=O)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDilleniaceaeAcrotrema uniflorum Ref.
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