input word = C00004253

Metabolite InformationStructural formula
Name Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)
Formula C22H22O14S
Mw 542.07302614
CAS RN 136516-95-5
C_ID C00004253 ,
InChIKey ICXGFKZMXFCHLZ-YQSRMTAQNA-N
InChICode InChI=1S/C22H22O14S/c1-32-10-4-2-9(3-5-10)14-7-12(25)16-11(24)6-13(26)19(20(16)33-14)35-22-21(36-37(29,30)31)18(28)17(27)15(8-23)34-22/h2-7,15,17-18,21-24,26-28H,8H2,1H3,(H,29,30,31)/t15-,17+,18-,21+,22-/m0/s1
SMILES c1(cc(c2c(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)OS(=O)(=O)O)oc(cc2=O)c1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeAlthaea officinalis Ref.
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