input word = C00005264

Metabolite InformationStructural formula
Name Isokaempferide 7-glucoside
Formula C22H22O11
Mw 462.11621155
CAS RN 13454-27-8
C_ID C00005264 ,
InChIKey FQKGNOGAGLOTLV-BAZAILPONA-N
InChICode InChI=1S/C22H22O11/c1-30-21-17(27)15-12(25)6-11(31-22-19(29)18(28)16(26)14(8-23)33-22)7-13(15)32-20(21)9-2-4-10(24)5-3-9/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3/t14-,16-,18+,19-,22-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)OC)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeSmyrnium rotundifolium Ref.
PlantaeAspleniaceaeAsplenium marinum Ref.
PlantaeAsteraceaeHaplopappus foliosus Ref.
PlantaeSolanaceaeSolanum spp. Ref.
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