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 N12[C@H]3[C@]4(C=CC1)CC[C@]1([C@]3([C@H](C2)C(=O)C4)c2c(N1C(=O)OC)c(c(cc2)OC)OC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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OrganismArabidopsis thaliana
ReferenceMolina,Phytochem.,67,(2006),2597