input word = C00005793

Metabolite InformationStructural formula
Name Hibiscetin 3-glucoside
Formula C21H20O14
Mw 496.08530535
CAS RN 482-34-8
C_ID C00005793 ,
InChIKey FYQLKIUMCHVQQI-DIGKNEFGNA-N
InChICode InChI=1S/C21H20O14/c22-4-10-14(29)16(31)17(32)21(33-10)35-20-15(30)11-6(23)3-9(26)13(28)19(11)34-18(20)5-1-7(24)12(27)8(25)2-5/h1-3,10,14,16-17,21-29,31-32H,4H2/t10-,14-,16-,17-,21+/m1/s1
SMILES c1(cc(c2c(c1O)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHibiscus cannabinus Ref.
PlantaeMalvaceaeHibiscus sabdariffa Ref.
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