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CHEBI:187163 - Myxol glycoside/ (Myxoxanthophyll)

Default Structure
ChEBI IDCHEBI:187163
ChEBI NameMyxol glycoside/ (Myxoxanthophyll)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H66O8
Net Charge0
Average Mass747.026
Monoisotopic Mass746.47577
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)C1
InChIInChI=1S/C46H66O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-38-36(6)28-37(48)29-45(38,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(46(9,10)52)54-44-43(51)42(50)41(49)39(30-47)53-44/h11-27,37,39-44,47-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t37-,39-,40-,41-,42+,43-,44?/m1/s1
InChIKeyVJHXSZGYVIKVEU-SKFWZKHZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Myxol glycoside/ (Myxoxanthophyll) (CHEBI:187163) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(3R,4S,5S,6R)-2-[(3R,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-hydroxy-25-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,10,14,19,23-hexamethylpentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
17220959ChemSpider
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