CHEBI:187163 - Myxol glycoside/ (Myxoxanthophyll)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Myxol glycoside/ (Myxoxanthophyll)
ChEBI ID CHEBI:187163
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H66O8
Net Charge 0
Average Mass 747.026
Monoisotopic Mass 746.47577
InChI InChI=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
InChIKey VJHXSZGYVIKVEU-SKFWZKHZSA-N
SMILES O[C@H]1CC(C(=C(C1)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]([C@@H](O)[C@H](O)[C@H]2O)CO)C(O)(C)C)\C)\C)\C)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
17220959 ChemSpider
LMPR01070184 LIPID MAPS
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