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CHEBI:166689 - Loroxanthin dodecenoate

ChEBI IDCHEBI:166689
ChEBI NameLoroxanthin dodecenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H76O4
Net Charge0
Average Mass765.176
Monoisotopic Mass764.57436
SMILESCCCCCCCCC/C=C/C(=O)OCC(=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H]1C(C)=C[C@@H](O)CC1(C)C)/C=C/C1=C(C)C[C@H](O)CC1(C)C
InChIInChI=1S/C52H76O4/c1-11-12-13-14-15-16-17-18-19-30-50(55)56-39-45(32-34-49-44(6)36-47(54)38-52(49,9)10)29-23-28-41(3)25-21-20-24-40(2)26-22-27-42(4)31-33-48-43(5)35-46(53)37-51(48,7)8/h19-35,46-48,53-54H,11-18,36-39H2,1-10H3/b21-20+,26-22+,28-23+,30-19+,33-31+,34-32+,40-24+,41-25+,42-27+,45-29-/t46-,47+,48-/m1/s1
InChIKeyTXBAOQMCVDHBKR-MHQWOFPGSA-N
ChEBI Ontology
Outgoing Relation(s)
Loroxanthin dodecenoate (CHEBI:166689) is a xanthophyll (CHEBI:27325)
IUPAC Name 
[(2Z,4E,6E,8E,10E,12E,14E,16E)-17-[(1S,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-2-[(E)-2-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]ethenyl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaenyl] (E)-dodec-2-enoate
Manual XrefsDatabases
17220940ChemSpider
LMPR01070157LIPID MAPS