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 CC1=CC(OC(CCCCCCCCCCCCCCC)=O)CC(C)(C)C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2(O3)C3(C)CC(OC(CCCCCCCCCCCCCCC)=O)CC2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTaraxacum officinale Ref.
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