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 COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OS(=O)(=O)O)ccc1OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIphiona scabra Ref.
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