input word = C00037123

Metabolite InformationStructural formula
Name Ethyl 3-hydroxyoctanoate 3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Formula C22H40O13
Mw 512.24689137
CAS RN 438246-72-1
C_ID C00037123 ,
InChIKey QAIPLYVRKVVKMO-INMJKSSLNA-N
InChICode InChI=1S/C22H40O13/c1-3-5-6-7-11(8-14(24)31-4-2)33-22-20(30)18(28)16(26)13(35-22)10-32-21-19(29)17(27)15(25)12(9-23)34-21/h11-13,15-23,25-30H,3-10H2,1-2H3/t11-,12-,13-,15+,16+,17+,18+,19-,20-,21-,22-/m1/s1
SMILES [C@H]1([C@H]([C@H]([C@H](O[C@H]1O[C@@H](CC(=O)OCC)CCCCC)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
zoom in