(Q76507238)

English

19'-Hexanoyloxyisomytiloxanthin

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4E,6E,8E,10E,12E,14E)-17-(1-hydroxy-2,2,6-trimethyl-4-oxocyclohexyl)-2-[2-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)ethynyl]-6,11,15-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaen-1-yl hexanoate

1 reference

based on heuristic

inferred from SMILES

mass

712.470289768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₆₄O₆

0 references

canonical SMILES

O=C(OCC(C#CC1=C(C)CC(O)CC1(C)C)=CC=CC(=CC=CC=C(C=CC=C(C(=O)CC2(O)C(C)CC(=O)CC2(C)C)C)C)C)CCCCC

0 references

isomeric SMILES

CCCCCC(=O)OC/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]1([C@@H](CC(=O)CC1(C)C)C)O)\C)/C#CC2=C(C[C@H](CC2(C)C)O)C

0 references

found in taxon

Mytilus edulis

1 reference

stated in

Animal carotenoids. 32. Carotenoids of Mytilus edulis (edible mussel)

Identifiers

InChI

InChI=1S/C46H64O6/c1-11-12-13-24-43(50)52-32-38(25-26-41-36(5)27-39(47)29-44(41,7)8)23-17-21-34(3)19-15-14-18-33(2)20-16-22-35(4)42(49)31-46(51)37(6)28-40(48)30-45(46,9)10/h14-23,37,39,47,51H,11-13,24,27-32H2,1-10H3/b15-14+,20-16+,21-17+,33-18+,34-19+,35-22+,38-23-/t37-,39-,46-/m1/s1

0 references

InChIKey

LIBOJHYHDLWKKI-XFTVYCRLSA-N

0 references

PubChem CID

16061209

1 reference

matched by identifier from

InChIKey

LIBOJHYHDLWKKI-XFTVYCRLSA-N

1 reference

1 reference

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

retrieved

30 June 2018

(Q76507238)

19'-Hexanoyloxyisomytiloxanthin

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