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 c1(ccc2c(c1O)O[C@H](CC2=O)c1ccc(c(c1)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
PlantaeAsteraceaeBidens spp. Ref.
PlantaeAsteraceaeCoreopsis spp. Ref.
PlantaePinaceaeAbies pindrow Ref.
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