input word = C00034176

Metabolite InformationStructural formula
Name 1,22-Docosane diol
Formula C22H46O2
Mw 342.34978071
CAS RN 22513-81-1
C_ID C00034176 ,
InChIKey JQOHSPBYKPYMTF-INNXRHCGNA-N
InChICode InChI=1S/C25H28N2O7/c1-31-17-7-6-14-18(19(17)32-2)27(22(30)34-4)24(21(29)33-3)10-9-23-8-5-11-26-13-15(16(28)12-23)25(14,24)20(23)26/h5-8,15,20H,9-13H2,1-4H3/t15-,20+,23-,24-,25+/m1/s1
SMILES COC(=O)N1c2c(ccc(OC)c2OC)C23[C@@H]4CN5CC=C[C@@](CC[C@]12C(=O)OC)(CC4=O)[C@H]53
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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