input word = C00004976

Metabolite InformationStructural formula
Name Ombuin 3,3'-di-O-sulfate
Formula C17H14O13S2
Mw 489.987582
CAS RN 79174-99-5
C_ID C00004976 ,
InChIKey UGCKOEITPKGHFI-UHFFFAOYSA-N
InChICode InChI=1S/C17H14O13S2/c1-26-9-6-10(18)14-13(7-9)28-16(17(15(14)19)30-32(23,24)25)8-3-4-11(27-2)12(5-8)29-31(20,21)22/h3-7,18H,1-2H3,(H,20,21,22)(H,23,24,25)
SMILES c1(cc(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)OS(=O)(=O)O)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDilleniaceaeAcrotrema uniflorum Ref.
zoom in



OrganismAcrotrema uniflorum
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 181.Flavonols

Gurni,Phytochem.,20,(1981),1057