input word = C00044401

Metabolite InformationStructural formula
Name (1E,22Z)-1,22-Diferuloyloxydocosane
Formula C42H62O8
Mw 694.44446896
CAS RN 597564-85-7
C_ID C00044401 ,
InChIKey FKPYDKGDBYFMGX-ZUSIYWPSSA-N
InChICode InChI=1S/C42H62O8/c1-47-39-33-35(23-27-37(39)43)25-29-41(45)49-31-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-32-50-42(46)30-26-36-24-28-38(44)40(34-36)48-2/h23-30,33-34,43-44H,3-22,31-32H2,1-2H3/b29-25-,30-26+
SMILES c1c(c(cc(c1)/C=C/C(=O)OCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C\c1cc(c(cc1)O)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia multiflora Ref.
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