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CHEBI:172805 - 19'-Hexanoyloxymytiloxanthin

Default Structure
ChEBI IDCHEBI:172805
ChEBI Name19'-Hexanoyloxymytiloxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H64O6
Net Charge0
Average Mass713.012
Monoisotopic Mass712.47029
SMILESCCCCCC(=O)OC/C(C#CC1=C(C)CC(O)CC1(C)C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)CC1(O)C(C)CC(=O)CC1(C)C
InChIInChI=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+
InChIKeyLIBOJHYHDLWKKI-ZOKYUFNTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
19'-Hexanoyloxymytiloxanthin (CHEBI:172805) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2E,4Z,6Z,8E,10E,12Z,14E)-2-[2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)ethynyl]-17-(1-hydroxy-2,2,6-trimethyl-4-oxocyclohexyl)-6,11,15-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaenyl] hexanoate
Manual XrefsDatabases
35014359ChemSpider
HMDB0037045HMDB