input word = C00001326

Metabolite InformationStructural formula
Name Tuberonic acid glucoside
12-Hydroxyjasmonic acid glucoside
Formula C18H28O9
Mw 388.17333249
CAS RN 120399-24-8
C_ID C00001326 ,
InChIKey JFDNMLUPLXZXGV-CYQHOJCJNA-N
InChICode InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13+,15-,16+,17-,18-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1CO)OCC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
--Salanum tuberosum Ref.
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OrganismPhyllanthus emblica
ReferenceZhang,Chem.Pharm.Bull.,50,(2002),841