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CHEBI:169403 - Astaxanthin diglucoside/ Astaxanthin beta-D-diglucoside

ChEBI IDCHEBI:169403
ChEBI NameAstaxanthin diglucoside/ Astaxanthin beta-D-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H72O14
Net Charge0
Average Mass921.134
Monoisotopic Mass920.49221
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(O)C3O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O)C2O)C1=O
InChIInChI=1S/C52H72O14/c1-29(17-13-19-31(3)21-23-35-33(5)41(55)37(25-51(35,7)8)63-49-47(61)45(59)43(57)39(27-53)65-49)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)42(56)38(26-52(36,9)10)64-50-48(62)46(60)44(58)40(28-54)66-50/h11-24,37-40,43-50,53-54,57-62H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t37-,38-,39+,40+,43+,44+,45?,46?,47?,48?,49+,50+/m0/s1
InChIKeyOGSBMKNVQQESGO-CCIVSKFISA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Astaxanthin diglucoside/ Astaxanthin beta-D-diglucoside (CHEBI:169403) 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-[(4S)-2,6,6-trimethyl-3-oxo-4-[(2S,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-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-one
Manual XrefsDatabases
17315232ChemSpider
LMPR01070100LIPID MAPS