input word = C00057046

Metabolite InformationStructural formula
Name 1-O-(9Z,12Z,15Z-Octadecatrienoyl)-D-glucitol
Formula C24H42O7
Mw 442.2930537
CAS RN 138922-96-0
C_ID C00057046
InChIKey KEFRSFBGIAUBNZ-UHFFFAOYSA-N
InChICode InChI=1S/C24H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)31-19-21(27)24(30)23(29)20(26)18-25/h20-21,23-27,29-30H,2-19H2,1H3
SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(O)C(O)C(O)C(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica campestris var. oleifera Ref.
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OrganismBrassica campestris var. oleifera
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 186A

624C (ir)