input word = C00004971

Metabolite InformationStructural formula
Name Isorhamnetin 3,4'-di-O-sulfate
Formula C16H12O13S2
Mw 475.97193193
CAS RN 110209-95-5
C_ID C00004971 ,
InChIKey XHPUGIGTDBEOQX-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O13S2/c1-26-11-4-7(2-3-10(11)28-30(20,21)22)15-16(29-31(23,24)25)14(19)13-9(18)5-8(17)6-12(13)27-15/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25)
SMILES c1(cc(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)OC)OS(=O)(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIphiona scabra Ref.
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