input word = C00005499

Metabolite InformationStructural formula
Name Azaleatin 3-glucoside
Formula C22H22O12
Mw 478.11112617
CAS RN 23598-17-6
C_ID C00005499 ,
InChIKey HJOBXPHWOUTSLV-BMMDRJOYNA-N
InChICode InChI=1S/C22H22O12/c1-31-12-5-9(24)6-13-15(12)17(28)21(20(32-13)8-2-3-10(25)11(26)4-8)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
SMILES c1(cc(c2c(c1)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)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron simsii Ref.
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