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CHEBI:186330 - Zeaxanthin diglucoside/ Zeaxanthin beta-D-diglucoside

ChEBI IDCHEBI:186330
ChEBI NameZeaxanthin diglucoside/ Zeaxanthin beta-D-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H76O12
Net Charge0
Average Mass893.168
Monoisotopic Mass892.53368
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[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
InChIInChI=1S/C52H76O12/c1-31(17-13-19-33(3)21-23-39-35(5)25-37(27-51(39,7)8)61-49-47(59)45(57)43(55)41(29-53)63-49)15-11-12-16-32(2)18-14-20-34(4)22-24-40-36(6)26-38(28-52(40,9)10)62-50-48(60)46(58)44(56)42(30-54)64-50/h11-24,37-38,41-50,53-60H,25-30H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,31-15+,32-16+,33-19+,34-20+/t37-,38-,41-,42-,43-,44-,45?,46?,47?,48?,49-,50-/m1/s1
InChIKeyDHNSFMNURMJEQV-VPWOWJCISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Zeaxanthin diglucoside/ Zeaxanthin beta-D-diglucoside (CHEBI:186330) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(2R,3S,6R)-2-(hydroxymethyl)-6-[(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-[(2R,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]cyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
Manual XrefsDatabases
17315231ChemSpider
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