input word = C00004972

Metabolite InformationStructural formula
Name Isorhamnetin 3,7,4'-tri-O-sulfate
Formula C16H12O16S3
Mw 555.92874653
CAS RN 79175-00-1
C_ID C00004972 ,
InChIKey KLIAQJWOBMSQFP-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O16S3/c1-28-11-4-7(2-3-10(11)31-34(22,23)24)15-16(32-35(25,26)27)14(18)13-9(17)5-8(6-12(13)29-15)30-33(19,20)21/h2-6,17H,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27)
SMILES c1(cc(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)OC)OS(=O)(=O)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIphiona scabra Ref.
PlantaeDilleniaceaeAcrotrema uniflorum Ref.
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