input word = C00005686

Metabolite InformationStructural formula
Name Gossypetin 3-glucoside
Formula C21H20O13
Mw 480.09039073
CAS RN 38965-52-5
C_ID C00005686 ,
InChIKey TYEYAUURGXCDJR-URLGRIGENA-N
InChICode InChI=1S/C21H20O13/c22-5-11-14(28)16(30)17(31)21(32-11)34-20-15(29)12-9(25)4-10(26)13(27)19(12)33-18(20)6-1-2-7(23)8(24)3-6/h1-4,11,14,16-17,21-28,30-31H,5H2/t11-,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)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeGossypium spp. Ref.
PlantaeMalvaceaeHibiscus spp. Ref.
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