(Q105178011)

English

19'-Butanoyloxyfucoxanthin

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4E,6E,8E,10E,12E,14E)-2-{2-[4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]ethenyl}-17-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-6,11,15-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaen-1-yl butanoate

1 reference

based on heuristic

inferred from SMILES

mass

744.460119008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₆₄O₈

0 references

canonical SMILES

O=C(OC1CC(O)(C(=C=CC(=CC=CC(=CC=CC=C(C=CC=C(C(=O)CC23OC3(C)CC(O)CC2(C)C)C)C)C)COC(=O)CCC)C(C)(C)C1)C)C

0 references

isomeric SMILES

CCCC(=O)OC/C(C=C=C1C(C)(C)C[C@H](OC(C)=O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C

0 references

found in taxon

Pelagococcus subviridis

1 reference

stated in

Carotenoids of the marine chrysophyte Pelagococcus subviridis

Identifiers

InChI

InChI=1S/C46H64O8/c1-12-17-41(50)52-31-36(24-25-40-42(6,7)28-38(53-35(5)47)29-44(40,10)51)23-16-21-33(3)19-14-13-18-32(2)20-15-22-34(4)39(49)30-46-43(8,9)26-37(48)27-45(46,11)54-46/h13-16,18-24,37-38,48,51H,12,17,26-31H2,1-11H3/b14-13+,20-15+,21-16+,32-18+,33-19+,34-22+,36-23-/t25?,37-,38-,44+,45+,46-/m0/s1

0 references

InChIKey

NEKQVGDUHFTLGS-MFFPCINUSA-N

0 references

1 reference

15 September 2022

1 reference

NEKQVGDUHFTLGS-MFFPCINUSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q105178011)

19'-Butanoyloxyfucoxanthin

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