input word = C00042128

Metabolite InformationStructural formula
Name 3-Hydroxyasebotin
(-)-3-Hydroxyasebotin
Formula C22H26O11
Mw 466.14751167
CAS RN 850650-31-6
C_ID C00042128 ,
InChIKey IWJPQQXPWSVXAG-HKNFCHEZNA-N
InChICode InChI=1S/C22H26O11/c1-31-11-7-15(27)18(13(25)5-3-10-2-4-12(24)14(26)6-10)16(8-11)32-22-21(30)20(29)19(28)17(9-23)33-22/h2,4,6-8,17,19-24,26-30H,3,5,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES COc1cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaePieris japonica Ref.
PlantaeHydrocharitaceaeThalassia ciliatum Ref.
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