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CHEBI:203156 - Adonixanthin diglucoside

ChEBI IDCHEBI:203156
ChEBI NameAdonixanthin diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H74O13
Net Charge0
Average Mass907.151
Monoisotopic Mass906.51294
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1
InChIInChI=1S/C52H74O13/c1-30(17-13-19-32(3)21-23-37-34(5)25-36(26-51(37,7)8)62-49-47(60)45(58)43(56)40(28-53)64-49)15-11-12-16-31(2)18-14-20-33(4)22-24-38-35(6)42(55)39(27-52(38,9)10)63-50-48(61)46(59)44(57)41(29-54)65-50/h11-24,36,39-41,43-50,53-54,56-61H,25-29H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,30-15+,31-16+,32-19+,33-20+/t36-,39+,40-,41-,43-,44-,45+,46+,47-,48-,49-,50-/m1/s1
InChIKeyXLDISQUNHMNBJO-HBVRACHKSA-N
Species of MetaboliteComponentSourceComments
Paracoccus (ncbitaxon:265) - PubMed (17190471)
ChEBI Ontology
Outgoing Relation(s)
Adonixanthin diglucoside (CHEBI:203156) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(6S)-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-one
Manual XrefsDatabases
78436966ChemSpider