input word = C00008282

Metabolite InformationStructural formula
Name Isookaninglucoside
Formula C21H22O11
Mw 450.11621155
CAS RN 577-38-8
C_ID C00008282 ,
InChIKey DGGOLFCPSUVVHX-BCWQENBXNA-N
InChICode InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2/t14-,15-,16-,18+,19-,21-/m1/s1
SMILES O=C1CC(c2ccc(O)c(O)c2)Oc2c1ccc(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)c2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens spp. Ref.
PlantaeAsteraceaeCoreopsis spp. Ref.
PlantaePinaceaeAbies pindrow Ref.
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