input word = C00056339

Metabolite InformationStructural formula
Name Eloxanthin dipalmitate
Formula C72H116O5
Mw 1060.88227681
CAS RN 10112-19-3
C_ID C00056339
InChIKey SGMOAWIYDVJCSH-ZTUCUTKQSA-N
InChICode InChI=1S/C72H116O5/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-67(73)75-64-55-63(7)66(69(8,9)56-64)52-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)53-54-72-70(10,11)57-65(58-71(72,12)77-72)76-68(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-55,64-66H,13-38,49-50,56-58H2,1-12H3/b40-39+,45-41+,46-42+,52-51+,54-53+,59-43+,60-44+,61-47+,62-48+
SMILES CCCCCCCCCCCCCCCC(=O)OC1C=C(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C23OC2(C)CC(OC(=O)CCCCCCCCCCCCCCC)CC3(C)C)C(C)(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTaraxacum officinale Ref.
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OrganismTaraxacum officinale
ReferenceKarrer, P. et al., Helv. Chim. Acta, 1945, 28, 1146

1526

1945, 28, 1528

1946, 29, 1539

1947, 30, 537

1158

1774

1948, 31, 113

802

1950, 33, 300 (isol, struct)